Organic Process Research Development Article Table 2.13C NMR Data CDCI acetone-d DMSO-d CDOD D20 solvent residual peak 77.06±0.03 29.82±0.01 39.53±0.05 1.3240.01 49.03±0.01 206.03±0.10 118.26+0.03 acetic acid" 175.99 172.31 171.93 173.21 175.11 17721 CH 20.81 20.51 20.95 20.73 20.56 21.03 acetic anhydride A CO 166.38 167.44 166.89 168.02 、6 、6 CH 22.15 22.05 21.90 22.45 acetone" A CO 207.07 205.87 206.31 207.43 209.67 215.94 CHi 30.92 30.60 30.56 30.91 30.67 30.89 acetonitrile CN 116.43 117.60 117.91 118.26 118.06 119.68 CH 1.89 1.12 1.03 1.79 0.85 1.47 iso-amyl acetate Co 172.15 171.02 170.28 171.91 173.08 OCH 63.56 63.23 62.18 63.71 64.22 CH-CH 37.29 38.18 36.83 38.16 38.53 CH 25.09 25.77 24.47 25.90 26.27 (CH3 22.45 22.71 22.20 22.74 22.82 CHCO 21.05 20.80 20.64 21.17 20.87 iso-amyl alcohol CH-OH 61.36 60.72160.59 58.91 60.94 61.28 60.82 CHCH 41.79 42.80[42.751 41.54 42.66 42.70 40.96 CH 24.74 25.43 24.18 25.56 25.86 24.65 CH 22.62 22.98 22.52 22.96 23.02 22.39 anisole AC(1) 15959 160.71 159.30 160.74 161.15 CH(3.5) 129.44 130.21 129.40 130.48 130.41 CH(4) 120.67 121.25 120.41 121.52 121.59 CH(2,6) 113.93 114.68 113.87 114.85 114.91 CH 55.14 55.34 54.87 55.76 55.56 benzyl alcohol AC(1) 140.98 143.42143.39T 142.44 143.17 142.74 140.84 CH(3,5) 128.54 128.92 127.92 129.26 129.37 129.34 CH(4) 127.61 127.55 126.50 127.97 128.28 128.43 CH(26) 126.98 127.35 126.31 127.69 128.01 128.06 CH: 65.31 64.68[64.55] 62.82 64.79 65.28 64.51 n-butanol ▲CHOH 62.76 62.1562.01 60.31 62.35 62.71 62.17 CH-CHOH 3491 35.9335.881 34.63 35.80 35.84 34.06 CH:CH 18.92 19.72 18.56 19.80 20.04 18.97 CH 13.86 14.20 13.75 14.24 14.24 13.66 iso-butanol ▲CH 69.80 69.4669.331 67.83 69.53 69.95 6927 CH 30.87 31.74[31.71] 30.53 31.73 31.93 30.37 CH 18.86 19.36 19.09 19.32 19.38 18.83 tert-butanol" 69.15 68.16f68.031 66.88 68.74 69.40 70.36 CH 31.25 31.6131.57 30.38 30.68 30.91 30.29 n-butyl acetate“ ▲CO 17120 170.94 170.27 17L.73 173.04 175.46 OCH 64.36 64.44 63.40 64.84 65.44 66.12 OCHCH 30.70 31.50 30.12 31.52 31.84 30.46 CHCO 20.99 20.76 20.60 21.12 20.83 21.06 CH:CH 19.16 19.77 18.54 19.87 20.18 19.07 CH-CH 13.71 13.94 13.44 14.02 14.03 13.51 iso-butyl acetate Co 171.19 170.89 170.28 171.71 173.00 175.52 70.63 70.71 69.61 7L.02 71.73 7222 CH 2771 28.49 27.16 28.61 28.95 27.70 CHCO 20.93 20.69 20.57 21.05 20.76 20.99 (CHs) 19.08 19.26 18.79 19.29 19.36 18.77 chlorobenzene 7C(1) 134.29 134.63 133.00 134.74 135.31 CH(35) 129.71 130.94 13020 131.10 131.00 CH(2.6) 128.62 129.30 128.30 129.45 129.56 CH(4) 126.43 127.65 126.92 127.83 127.73 cyclohexane· CH. 26.94 27.51 26.33 27.63 27.96 cyclohexanone ▲CO 212.57 210.36 210.63 211.99 214.69 22122 CH(2,6) 41.97 42.24 4132 42.44 42.61 42.02 CH(3.5) 27.00 27.68 26.46 27.80 28.16 27.50 CH(4) 24.97 25.59 24.32 25.62 25.86 24.77 cyclopentyl methyl ether CH 83.03 83.35 81.92 83.62 84.47 84.40 (CPME) CH 56.30 56.18 55.47 56.38 56.55 56.04 CH(2.5) 3197 32.51 31.35 32.63 32.85 31.87 CH(3.4) 23.55 24.14 23.05 24.28 24.45 23.61 p-cymene C(4) 145.89 146.54 14522 146.91 146.99 (4-iso-propyltoluene) C(1) 135.14 135.70 134.46 136.16 136.15 CH(2.6) 128.98 129.71 128.72 129.91 129.90 CH(35) 126.28 126.99 125.98 127.23 127.19 CH(CH 33.70 34.40 32.92 34.48 34.98 (CH3) 24.10 24.40 23.89 24.41 24.55 Ar-CH: 20.95 20.94 20.48 21.00 21.03 664 D0t10.1021/acs.oprd5b00417 Org.Process Res.Dev.2016,20,661-667Table 2. 13C NMR Data Organic Process Research & Development Article DOI: 10.1021/acs.oprd.5b00417 Org. Process Res. Dev. 2016, 20, 661−667 664