Tetramethylene sulfoxide(1600-44-8) 13C NMR
Product NameTetramethylene sulfoxide
CAS1600-44-8
Molecular FormulaC4H8OS
Molecular Weight104.17
InChIInChI=1S/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
InChIKey ISXOBTBCNRIIQO-UHFFFAOYSA-N
SmilesC1S(=O)CCC1
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MassMS-NW-1148 tetramethylene sulfoxide C4H8OS (Mass of molecular ion: 104)
Source Temperature: 250 °C Sample Temperature: 170 °C Reservoir, 75 eV
18.0 1.6 26.0 3.3 27.0 14.7 28.0 7.5 29.0 13.6 31.0 1.0 32.0 2.0 38.0 1.1 39.0 12.3 40.0 2.0 41.0 18.8 42.0 6.8 43.0 1.0 45.0 6.6 46.0 4.3 47.0 7.7 48.0 6.0 49.0 1.0 50.0 3.0 51.0 1.4 53.0 4.6 54.0 5.2 55.0 100.0 56.0 8.3 58.0 1.4 59.0 3.8 60.0 2.9 61.0 1.2 63.0 31.0 65.0 1.5 76.0 3.6 85.0 1.8 87.0 3.5 88.0 1.1 104.0 54.1 105.0 3.1 106.0 2.6
400 MHz in CDCl3
90 MHz in CDCl3
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1H NMR 399.65 MHz C4 H8 O S 0.05 ml : 0.5 ml CDCl3 tetramethylene sulfoxide 
Assign. Shift(ppm)
A 2.880 B *1 2.43 C *1 2.05 90MHZ : HSP-00-262
Hz ppm Int.1169.43 2.927 30 1166.75 2.920 35 1163.33 2.911 98 1162.23 2.909 107 1160.89 2.905 119 1157.71 2.897 652 1156.13 2.893 533 1153.44 2.887 413 1152.59 2.884 583 1151.49 2.882 1000 1150.63 2.880 950 1149.78 2.877 828 1145.39 2.866 628 1143.43 2.862 735 1139.77 2.852 121 1138.67 2.850 115 1136.96 2.845 69 1134.89 2.840 44 1133.18 2.836 38 993.53 2.486 56 990.84 2.480 51 990.11 2.478 53 989.38 2.476 47 988.89 2.475 48 987.30 2.471 89 985.11 2.465 74 983.03 2.460 126 982.30 2.458 131 980.83 2.455 190 980.35 2.454 189 977.91 2.447 162 977.29 2.446 208 975.10 2.440 292 973.63 2.437 192 973.02 2.435 191 972.05 2.433 239 970.83 2.430 222 970.34 2.428 240 969.60 2.427 267 967.04 2.420 233 965.58 2.417 136 963.26 2.411 245 961.43 2.406 109 960.82 2.405 105 959.59 2.402 72 958.86 2.400 89 957.76 2.397 80 956.67 2.394 58 955.81 2.392 57 954.96 2.390 75 953.25 2.386 44 952.03 2.383 52 951.29 2.381 68 840.33 2.103 76 839.84 2.102 65 839.23 2.100 58 836.79 2.094 71 835.57 2.091 113 834.23 2.088 64 833.50 2.086 67 832.28 2.083 80 830.44 2.078 196 829.71 2.077 192 828.74 2.074 234 825.93 2.067 191 825.32 2.066 188 824.10 2.063 272 821.78 2.057 310 819.21 2.050 302 817.50 2.046 256 815.80 2.042 191 813.35 2.036 213 810.91 2.030 171 808.35 2.023 59 807.50 2.021 64 806.64 2.019 60 805.54 2.016 103 804.57 2.014 62 803.96 2.012 55 801.64 2.006 56 800.78 2.004 56
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1H NMR 89.56 MHz C4 H8 O S 0.02 ml : 0.5 ml CDCl3 tetramethylene sulfoxide Assign. Shift(ppm)
A 2.87 B 2.46 to 2.04 400MHZ : HSP-44-759
Hz ppm Int.264.88 2.958 359 257.38 2.874 1000 250.75 2.800 749 224.81 2.511 191 213.81 2.388 280 202.94 2.266 157 188.88 2.109 291 182.94 2.043 235
in CDCl3
liquid film
