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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 B2trm1865wm
Name 1,2-Diphenylethyl isothiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 EI Positive ion
Literature Reference DOI 10.1002/cctc.202200120
Molecular Weight 239.336 g/mol
SMILES c1(ccccc1)CC(c1ccccc1)N=C=S
SPLASH splash10-014i-1900000000-4c58c84925690723a2b7
Source of Spectrum CCC-14-SM5-Figure S5
Wiley ID 1871763