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2,6-Diisopropylphenyl isothiocyanate
SpectraBase Compound ID 1nsr2XcRGBr
InChI InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChIKey HZGOUCYIYIFQHX-UHFFFAOYSA-N
Mol Weight 219.35 g/mol
Molecular Formula C13H17NS
Exact Mass 219.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K9zcXVFDsNi
Name 2,6-Diisopropylphenyl isothiocyanate
Alternate Name(s) 1,3-Diisopropyl-2-isothiocyanato-benzene 2-isothiocyanato-1,3-di(propan-2-yl)benzene
CAS Registry Number 25343-70-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NS
InChI InChI=1S/C13H17NS/c1-9(2)11-6-5-7-12(10(3)4)13(11)14-8-15/h5-7,9-10H,1-4H3
InChIKey HZGOUCYIYIFQHX-UHFFFAOYSA-N
Molecular Weight 219.346 g/mol
SMILES c1(c(cccc1C(C)C)C(C)C)N=C=S
SPLASH splash10-0gb9-0490000000-c4be27274c9e03a49f61
Source of Spectrum SO-0-826-5
Wiley ID 1538274