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ABQKHKWXTUVKGF-UHFFFAOYSA-N
SpectraBase Compound ID GX6qlFOAttf
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-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 B1OjloqGbZo
Name p-Tolyl isothiocyanate
Alternate Name(s) 1-isothiocyanato-4-methyl-benzene 4-Methylphenyl isothiocyanate 4-Tolyl isothiocyanate Benzene, 1-isothiocyanato-4-methyl- Isothiocyanic acid, 4-tolyl ester Isothiocyanic acid, p-tolyl ester p-Methylphenyl isothiocyanate BRN 0386032 EINECS 210-745-5
CAS Registry Number 622-59-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3
InChIKey ABQKHKWXTUVKGF-UHFFFAOYSA-N
Molecular Weight 149.211 g/mol
SMILES c1(N=C=S)ccc(cc1)C
SPLASH splash10-0002-6900000000-b45d777a17a0b0ef354c
Source of Spectrum NP-1-4330-0
Wiley ID 1098805