4-BUTYROTHIOLACTONE(1003-10-7) MS
Product Name4-BUTYROTHIOLACTONE
CAS1003-10-7
Molecular FormulaC4H6OS
Molecular Weight102.15
InChIInChI=1S/C4H6OS/c5-4-2-1-3-6-4/h1-3H2
InChIKey KMSNYNIWEORQDJ-UHFFFAOYSA-N
SmilesC1(=O)SCCC1
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MassMS-NW-6440 4,5-dihydro-2(3H)-thiophenone C4H6OS (Mass of molecular ion: 102)
Source Temperature: 260 °C Sample Temperature: 190 °C Reservoir, 75 eV
14.0 1.2 15.0 1.2 26.0 3.2 27.0 13.1 28.0 6.8 29.0 1.3 32.0 1.4 37.0 2.0 38.0 2.6 39.0 13.6 40.0 7.3 41.0 39.4 42.0 50.2 43.0 2.0 44.0 1.6 45.0 18.1 46.0 19.8 47.0 4.0 48.0 1.2 55.0 71.2 56.0 4.1 57.0 1.6 58.0 3.3 59.0 7.4 60.0 6.1 69.0 1.2 71.0 1.3 73.0 1.9 74.0 1.5 102.0 100.0 103.0 5.5 104.0 5.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C4 H6 O S 0.05 ml : 0.5 ml CDCl3 4,5-dihydro-2(3H)-thiophenone 
Assign. Shift(ppm)
A 3.421 B 2.510 C 2.283
Hz ppm Int.1373.54 3.437 639 1367.19 3.421 1000 1360.60 3.405 630 1011.84 2.532 392 1011.23 2.531 379 1004.52 2.514 736 1004.03 2.513 767 997.07 2.495 535 994.26 2.488 58 926.76 2.319 148 926.27 2.318 150 919.68 2.302 404 913.09 2.285 510 905.88 2.267 330 905.15 2.265 249 901.37 2.256 34 900.76 2.254 36 899.17 2.250 107 898.56 2.249 109
in CDCl3
