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2,4,6-Trimethylphenyl isothiocyanate
SpectraBase Compound ID IvNu40OU6xb
InChI InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
InChIKey KKYMYPLVBCVDPL-UHFFFAOYSA-N
Mol Weight 177.26 g/mol
Molecular Formula C10H11NS
Exact Mass 177.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXi3G5784Ry
Name 2,4,6-Trimethylphenyl isothiocyanate
CAS Registry Number 6095-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H11NS
InChI InChI=1S/C10H11NS/c1-7-4-8(2)10(11-6-12)9(3)5-7/h4-5H,1-3H3
InChIKey KKYMYPLVBCVDPL-UHFFFAOYSA-N
Molecular Weight 177.265 g/mol
SMILES c1(c(cc(cc1C)C)C)N=C=S
SPLASH splash10-004i-0900000000-ecadd7ee5e408bd3ecbd
Source of Spectrum SO-0-826-5
Synonyms 2-isothiocyanato-1,3,5-trimethyl-benzene Mesityl isothiocyanate
Wiley ID 1538275