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(phenylthio)methanethioic acid O-(1-benzylbutyl) ester
SpectraBase Compound ID 65qK2cNO7qf
InChI InChI=1S/C18H20OS2/c1-2-9-16(14-15-10-5-3-6-11-15)19-18(20)21-17-12-7-4-8-13-17/h3-8,10-13,16H,2,9,14H2,1H3
InChIKey HAECYWSZNLZPCY-UHFFFAOYSA-N
Mol Weight 316.48 g/mol
Molecular Formula C18H20OS2
Exact Mass 316.095558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HmTyBzYjzzv
Name (phenylthio)methanethioic acid O-(1-benzylbutyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20OS2
InChI InChI=1S/C18H20OS2/c1-2-9-16(14-15-10-5-3-6-11-15)19-18(20)21-17-12-7-4-8-13-17/h3-8,10-13,16H,2,9,14H2,1H3
InChIKey HAECYWSZNLZPCY-UHFFFAOYSA-N
Molecular Weight 316.477 g/mol
SMILES C(Sc1ccccc1)(=S)OC(Cc1ccccc1)CCC
SPLASH splash10-0006-9000000000-337f90495f1c908ecc91
Source of Spectrum AJ-73-479-2
Synonyms (phenylthio)methanethioic acid O-(1-phenylpentan-2-yl) ester O-(1-benzylbutyl) phenylsulfanylmethanethioate O-(1-phenylpentan-2-yl) phenylsulfanylmethanethioate
Wiley ID 775290