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isothiocyanic acid, p-chlorophenyl ester
SpectraBase Compound ID Iac1vAq4TvV
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N
Mol Weight 169.63 g/mol
Molecular Formula C7H4ClNS
Exact Mass 168.975298 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26BAhEbVqzv
Name 4-Chlorophenyl isothiocyanate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNS
InChI InChI=1S/C7H4ClNS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey MZZVFXMTZTVUFO-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 169.629 g/mol
SMILES c1(N=C=S)ccc(cc1)Cl
SPLASH splash10-014i-1900000000-1bdc1e853ae0933d89e3
Source of Spectrum BJO-8-SM16-16-1
Wiley ID 1867376