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2-(Benzylsulfanyl)phenylisothiocyanate
SpectraBase Compound ID 6W3eT7dyExe
InChI InChI=1S/C14H11NS2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey FDQUAOVQPKLAJW-UHFFFAOYSA-N
Mol Weight 257.37 g/mol
Molecular Formula C14H11NS2
Exact Mass 257.033292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9pHFuFulrQ
Name 2-(Benzylsulfanyl)phenylisothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11NS2
InChI InChI=1S/C14H11NS2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-9H,10H2
InChIKey FDQUAOVQPKLAJW-UHFFFAOYSA-N
Molecular Weight 257.369 g/mol
SMILES c1(N=C=S)c(SCc2ccccc2)cccc1
SPLASH splash10-0006-9070000000-dedb694469d026db1f60
Source of Spectrum H1-41-2266-8
Synonyms 1-(benzylsulfanyl)-2-isothiocyanatobenzene
Wiley ID 757440