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1,2-Diphenylethyl isothiocyanate
SpectraBase Compound ID 8A58k7KuP9H
InChI InChI=1S/C15H13NS/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2
InChIKey SFNJUHMQHYRSJI-UHFFFAOYSA-N
Mol Weight 239.34 g/mol
Molecular Formula C15H13NS
Exact Mass 239.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K25dbCUgzY
Name 1,2-Diphenylethyl isothiocyanate
CAS Registry Number 71056-06-9
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 239.076870597 u
Formula C15H13NS
InChI InChI=1S/C15H13NS/c17-12-16-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10,15H,11H2
InChIKey SFNJUHMQHYRSJI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.336 g/mol
Nominal Mass 239 u
Quality 976
Retention Index 2511
SMILES C(C=1C=CC=CC1)(CC1=CC=CC=C1)N=C=S
SPLASH splash10-014i-0900000000-727f7bc8e9f59893429a
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms (1-Isothiocyanato-2-phenyl-ethyl)benzene
Technique GC/MS
Wiley ID DD2024_009734