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Phenylisothiocyanate
SpectraBase Compound ID G3PhJzMRLGe
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Mol Weight 135.18 g/mol
Molecular Formula C7H5NS
Exact Mass 135.01427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jDaMh6jdHc
Name Benzene, isothiocyanato-
Alternate Name(s) Benzene-1-isothiocyanate Fenylisothiokyanat Isothiocyanatobenzene Isothiocyanic acid, phenyl ester Phenyl isothiocyanate Phenyl mustard oil Phenyl thioisocyanate Phenylsenfoel PITC Thiocarbanil USAF M-4 AI3-09310 BRN 0471392 CCRIS 3144 EINECS 203-138-1 NSC 5583
CAS Registry Number 103-72-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NS
InChI InChI=1S/C7H5NS/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChIKey QKFJKGMPGYROCL-UHFFFAOYSA-N
Molecular Weight 135.184 g/mol
SMILES c1(N=C=S)ccccc1
SPLASH splash10-002r-9400000000-0d6a504be3f3d3770070
Source of Spectrum AA-0-678-1
Wiley ID 6494