(BENZYLTHIO)ACETIC ACID(103-46-8) MS
Product Name(BENZYLTHIO)ACETIC ACID
CAS103-46-8
Molecular FormulaC9H10O2S
Molecular Weight182.24
InChIInChI=1S/C9H10O2S/c10-9(11)7-12-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
InChIKey AWLVTQRRKPBQEQ-UHFFFAOYSA-N
SmilesC(O)(=O)CSCC1=CC=CC=C1
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MassMS-IW-6560 (benzylthio)acetic acid C9H10O2S (Mass of molecular ion: 182)
Source Temperature: 130 °C Sample Temperature: 110 °C Direct, 75 eV
39.0 3.1 45.0 7.7 51.0 2.2 63.0 2.3 65.0 10.2 77.0 2.3 89.0 2.8 90.0 1.2 91.0 100.0 92.0 8.4 121.0 3.7 122.0 3.5 123.0 47.7 124.0 4.4 125.0 2.3 182.0 42.4 183.0 4.6 184.0 2.3
KBr disc
nujol mull
