Diallyl sulfide(592-88-1) 13C NMR
Product NameDiallyl sulfide
CAS592-88-1
Molecular FormulaC6H10S
Molecular Weight114.21
InChIInChI=1S/C6H10S/c1-3-5-7-6-4-2/h3-4H,1-2,5-6H2
InChIKey UBJVUCKUDDKUJF-UHFFFAOYSA-N
SmilesS(CC=C)CC=C
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MassMS-NW-3308 diallyl sulfide C6H10S (Mass of molecular ion: 114)
Source Temperature: 280 °C Sample Temperature: 180 °C Reservoir, 75 eV
15.0 3.1 26.0 2.0 27.0 8.5 29.0 2.2 37.0 2.7 38.0 6.3 39.0 62.0 40.0 5.0 41.0 81.5 42.0 4.2 44.0 1.0 45.0 100.0 46.0 7.7 47.0 17.2 53.0 4.0 54.0 2.1 55.0 3.3 58.0 3.2 59.0 3.5 60.0 5.3 65.0 2.0 66.0 1.1 67.0 12.3 68.0 11.1 69.0 3.2 71.0 21.9 72.0 53.4 73.0 80.6 74.0 7.2 75.0 4.0 77.0 1.4 79.0 5.7 80.0 17.5 81.0 22.1 82.0 1.6 85.0 10.7 86.0 7.3 87.0 4.2 91.0 1.1 99.0 26.8 100.0 1.7 101.0 1.4 113.0 3.4 114.0 48.7 115.0 4.1 116.0 2.9
90 MHz in CDCl3
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1H NMR 89.56 MHz C6 H10 S 0.04 ml : 0.5 ml CDCl3 diallyl sulfide 
Assign. Shift(ppm)
A 5.75 B 5.11 C 5.10 D 3.086
Hz ppm Int.538.50 6.013 103 531.56 5.936 199 529.50 5.913 99 526.31 5.877 52 524.63 5.858 120 522.50 5.835 183 520.81 5.816 136 519.13 5.797 88 517.31 5.777 81 515.63 5.758 111 513.88 5.738 255 511.81 5.715 258 510.81 5.704 69 507.00 5.662 159 504.88 5.638 432 498.06 5.562 257 465.63 5.200 62 464.50 5.187 111 463.63 5.177 406 462.50 5.165 803 461.13 5.149 1000 460.19 5.139 527 453.00 5.059 161 452.06 5.048 321 451.06 5.037 276 450.13 5.027 332 449.25 5.017 212 448.06 5.003 164 446.88 4.990 301 445.69 4.977 240 444.94 4.969 282 443.69 4.955 157 280.06 3.128 914 279.13 3.117 647 274.06 3.061 519 273.13 3.050 853 272.13 3.039 601
in CDCl3
liquid film
