[Isothiocyanato(phenyl)methyl]benzene

SpectraBase Compound ID	FewFeFcfcID
InChI	InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey	WDOSFTZMBFYTED-UHFFFAOYSA-N Google Search
Mol Weight	225.31 g/mol
Molecular Formula	C14H11NS
Exact Mass	225.061221 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	2mjCO2rAYmO
Name	Benzhydryl isothiocyanate
CAS Registry Number	3550-21-8
Classification	Organophosphorus precursor
Comments	Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found)
Copyright	Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass	225.061220532 u
Formula	C14H11NS
InChI	InChI=1S/C14H11NS/c16-11-15-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H
InChIKey	WDOSFTZMBFYTED-UHFFFAOYSA-N
Ionization Type	Electron Ionization (EI)
Molecular Weight	225.309 g/mol
Nominal Mass	225 u
Quality	837
Retention Index	1713
SMILES	C(C=1C=CC=CC1)(C1=CC=CC=C1)N=C=S
SPLASH	splash10-014i-3900000000-2583f6217515b252267d
Source of Spectrum	DigiLab GmbH (C) 2024
Synonyms	(isothiocyanato(phenyl)methyl)benzene
Technique	GC/MS
Wiley ID	DD2024_000223