BIS(CARBOXYMETHYL) TRITHIOCARBONATE(6326-83-6) 1H NMR
Product NameBIS(CARBOXYMETHYL) TRITHIOCARBONATE
CAS6326-83-6
Molecular FormulaC5H6O4S3
Molecular Weight226.29
InChIInChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey GQECANUIPBFPLA-UHFFFAOYSA-N
SmilesC(SCC(O)=O)(SCC(O)=O)=S
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MassMS-NW-6280 bis(carboxymethyl) trithiocarbonate C5H6O4S3 (Mass of molecular ion: 226)
Source Temperature: 170 °C Sample Temperature: 140 °C Direct, 75 eV
12.0 1.1 13.0 1.9 14.0 6.5 15.0 1.3 17.0 1.5 18.0 5.7 28.0 8.3 29.0 5.5 31.0 7.8 32.0 18.2 33.0 4.0 34.0 2.8 36.0 1.1 38.0 1.1 41.0 2.8 42.0 19.1 43.0 3.8 44.0 15.4 45.0 54.9 46.0 100.0 47.0 90.2 48.0 8.4 49.0 4.4 57.0 1.4 58.0 1.7 59.0 12.2 60.0 35.8 61.0 1.7 62.0 1.8 63.0 3.9 64.0 7.4 74.0 56.1 75.0 5.4 76.0 24.6 77.0 4.3 78.0 5.9 79.0 2.3 90.0 3.1 91.0 4.8 92.0 50.9 93.0 8.0 94.0 3.0 105.0 1.6 106.0 5.7 107.0 15.3 108.0 1.5 109.0 1.7 119.0 1.5 134.0 36.1 135.0 22.0 136.0 4.6 137.0 2.3 148.0 6.7 149.0 1.5 150.0 1.4 166.0 1.3 167.0 1.1 226.0 12.8 227.0 1.1 228.0 2.0
400 MHz in DMSO-d6
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1H NMR 399.65 MHz C5 H6 O4 S3 0.040 g : 0.5 ml DMSO-d6 bis(carboxymethyl) trithiocarbonate 
Assign. Shift(ppm)
A 13.0 B 4.258
Hz ppm Int.1701.99 4.259 1000
in DMSO-d6
KBr disc
nujol mull
