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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 L8iBoxKTonZ
Name 4-Chlorophenyl isothiocyanate
Alternate Name(s) p-Chlorophenyl isothiocyanate Benzene, 1-chloro-4-isothiocyanato- Isothiocyanic acid, p-chlorophenyl ester Isothiocyanic acid, 4-chlorophenyl ester 4-Chlor-phenyl-isothiocyanat 1-Chloro-4-isothiocyanatobenzene 1-Chloranyl-4-isothiocyanato-benzene
CAS Registry Number 2131-55-7
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
Molecular Weight 169.629 g/mol
SMILES c1(ccc(cc1)Cl)N=C=S
SPLASH splash10-014i-1900000000-42ae24a140781c33f296
Source of Spectrum JX-2015-6-10211
Wiley ID 1730580