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Thiocyanic acid, 2-(thiocyanatomethyl)phenyl ester
SpectraBase Compound ID CWsqnxZIEz5
InChI InChI=1S/C9H6N2S2/c10-6-12-5-8-3-1-2-4-9(8)13-7-11/h1-4H,5H2
InChIKey XAGQDYDQIXLBDT-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C9H6N2S2
Exact Mass 205.997241 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1C0pnNLHCgI
Name Thiocyanic acid, 2-(thiocyanatomethyl)phenyl ester
CAS Registry Number 78638-66-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6N2S2
InChI InChI=1S/C9H6N2S2/c10-6-12-5-8-3-1-2-4-9(8)13-7-11/h1-4H,5H2
InChIKey XAGQDYDQIXLBDT-UHFFFAOYSA-N
Molecular Weight 206.281 g/mol
SMILES C(#N)Sc1c(CSC#N)cccc1
SPLASH splash10-00di-0900000000-6ec56c6ab8f5bba294ec
Source of Spectrum J-50-183-5
Synonyms 2-(cyanosulfanyl)benzyl thiocyanate 2-Cyanothiomethyl-1-cyanothio-benzene
Wiley ID 1203913