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1,2-Diphenylethyl isothiocyanate

View entire compound with spectra: 1 NMR, 1 FTIR, and 3 MS (GC)

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2FJcwKSRnTQ
Name 1,2-Diphenylethyl isothiocyanate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. 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
Molecular Weight 239.336 g/mol
SMILES C(C1=CC=CC=C1)C(N=C=S)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.933503