METHYLENEBIS(THIOGLYCOLIC ACID DI-N-BUTYL ESTER)(14338-82-0) MS
Product NameMETHYLENEBIS(THIOGLYCOLIC ACID DI-N-BUTYL ESTER)
CAS14338-82-0
Molecular FormulaC13H24O4S2
Molecular Weight308.46
InChIInChI=1S/C13H24O4S2/c1-3-5-7-16-12(14)9-18-11-19-10-13(15)17-8-6-4-2/h3-11H2,1-2H3
InChIKey QCWRDNFBMVSDEY-UHFFFAOYSA-N
SmilesC(SCC(OCCCC)=O)SCC(OCCCC)=O
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MassMS-IW-6132 dibutyl (methylenedithio)diacetate C13H24O4S2 (Mass of molecular ion: 308)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 4.6 28.0 2.8 29.0 26.0 31.0 1.9 39.0 2.6 41.0 27.3 42.0 3.9 43.0 3.4 45.0 5.3 46.0 4.7 47.0 6.0 55.0 6.2 56.0 46.9 57.0 73.8 58.0 3.5 59.0 3.0 60.0 22.9 61.0 12.4 63.0 2.4 69.0 1.2 74.0 1.3 75.0 1.9 77.0 22.2 78.0 2.1 79.0 3.3 87.0 15.7 88.0 1.2 91.0 2.2 92.0 1.4 93.0 2.7 101.0 1.9 103.0 2.2 104.0 2.3 105.0 83.3 106.0 4.3 107.0 5.0 109.0 3.7 116.0 2.3 117.0 2.2 119.0 100.0 120.0 5.1 121.0 9.3 137.0 58.0 138.0 2.9 139.0 5.4 161.0 10.6 162.0 1.1 193.0 45.6 194.0 4.5 195.0 4.5 207.0 5.8 234.0 20.2 235.0 7.1 236.0 2.5 308.0 15.5 309.0 2.8 310.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C13 H24 O4 S2 0.05 ml : 0.5 ml CDCl3 dibutyl (methylenedithio)diacetate 
Assign. Shift(ppm)
A 4.136 B 3.949 C 3.374 D 1.639 E 1.395 F 0.942
Hz ppm Int.1659.91 4.154 298 1653.20 4.137 549 1646.48 4.120 295 1578.37 3.950 554 1348.39 3.374 1000 669.07 1.675 58 662.60 1.658 150 661.87 1.657 156 659.30 1.650 60 655.88 1.642 161 655.03 1.640 194 652.59 1.633 114 649.17 1.625 72 647.22 1.620 166 640.50 1.603 77 575.81 1.441 43 570.19 1.427 34 568.36 1.423 130 562.74 1.409 80 560.79 1.404 180 555.30 1.390 82 553.22 1.385 189 547.97 1.372 39 545.90 1.366 125 538.57 1.348 40 383.79 0.961 465 376.46 0.942 824 369.02 0.924 392
in CDCl3
liquid film
