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Isothiocyanic acid o-tolyl ester
SpectraBase Compound ID 8V6ULF43oAw
InChI InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey JYKYYPPZLPVIBY-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 EroPdIRtWte
Name o-Tolyl isothiocyanate
Alternate Name(s) 1-Isothiocyanato-2-methylbenzene 2-Methylphenyl isothiocyanate 2-Methylphenylisothiocyanate 2-Tolyl isothiocyanate Benzene, 1-isothiocyanato-2-methyl- Isothiocyanic acid, o-tolyl ester o-Methylphenyl isothiocyanate AI3-28259 EINECS 210-390-6 NSC 220230
CAS Registry Number 614-69-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NS
InChI InChI=1S/C8H7NS/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey JYKYYPPZLPVIBY-UHFFFAOYSA-N
Molecular Weight 149.211 g/mol
SMILES c1(N=C=S)c(cccc1)C
SPLASH splash10-00kb-7900000000-d7c4d014604d2e6bb629
Source of Spectrum W6-1988-7606-0
Wiley ID 134232