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2,6-Dimethylphenyl isothiocyanate
SpectraBase Compound ID 3oYdd9DyWuq
InChI InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey UULUECCNPPJFBU-UHFFFAOYSA-N
Mol Weight 163.24 g/mol
Molecular Formula C9H9NS
Exact Mass 163.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IWpvwJ6p4qz
Name Benzene, 2-isothiocyanato-1,3-dimethyl-
CAS Registry Number 19241-16-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NS
InChI InChI=1S/C9H9NS/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3
InChIKey UULUECCNPPJFBU-UHFFFAOYSA-N
Molecular Weight 163.238 g/mol
SMILES c1(N=C=S)c(cccc1C)C
SPLASH splash10-0w30-0900000000-01dde79f9b96ef0773ab
Source of Spectrum AC-1984-206-0
Synonyms 2-Isothiocyanato-1,3-dimethylbenzene 2,6-Dimethylphenyl isothiocyanate 2,6-Dimethylphenyl-1-isothiocyanate 2,6-Xylyl isothiocyanate Isothiocyanic acid, 2,6-xylyl ester EINECS 242-906-0
Wiley ID 1159471