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ISOTHIOCYANIC ACID, M-CHLOROPHENYL ESTER
SpectraBase Compound ID 5Qw4pHmdCYP
InChI InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey WGXCKFMVBAOIFH-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 5ct04WCxlgP
Name 3-Chlorophenyl isothiocyanate
Alternate Name(s) 1-Chloro-3-isothiocyanatobenzene Benzene, 1-chloro-3-isothiocyanato- Isothiocyanic acid, 3-chlorophenyl ester Isothiocyanic acid, m-chlorophenyl ester 1-Chloranyl-3-isothiocyanato-benzene
CAS Registry Number 2392-68-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4ClNS
InChI InChI=1S/C7H4ClNS/c8-6-2-1-3-7(4-6)9-5-10/h1-4H
InChIKey WGXCKFMVBAOIFH-UHFFFAOYSA-N
Molecular Weight 169.629 g/mol
SMILES c1(cc(ccc1)N=C=S)Cl
SPLASH splash10-014i-2900000000-22735d08e6834ad88568
Source of Spectrum NP-17-4937-0
Wiley ID 1100922