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[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
Mol Weight 225.31 g/mol
Molecular Formula C14H11NS
Exact Mass 225.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4lUzHWZTm0c
Name [Isothiocyanato(phenyl)methyl]benzene
CAS Registry Number 3550-21-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Molecular Weight 225.309 g/mol
SMILES c1ccc(cc1)C(c1ccccc1)N=C=S
SPLASH splash10-014i-2900000000-8a3fd793f26a37323605
Synonyms Benzhydryl isothiocyanate
Wiley ID 1462202