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isothiocyanic acid, m-tolyl ester
SpectraBase Compound ID 28vFIXkZhyX
InChI InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey BDPQUWSFKCFOST-UHFFFAOYSA-N
Mol Weight 149.21 g/mol
Molecular Formula C8H7NS
Exact Mass 149.02992 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eat0NgXXyeh
Name 3-Methylphenyl isothiocyanate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
InChIKey BDPQUWSFKCFOST-UHFFFAOYSA-N
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 149.211 g/mol
SMILES c1(N=C=S)cccc(c1)C
SPLASH splash10-0002-5900000000-89500b136e25bb4022a5
Source of Spectrum BJO-8-SM14-14-1
Wiley ID 1867374