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4-Phenylbutan-2-amine-isothiocyanate
SpectraBase Compound ID HrVqYYWwS3s
InChI InChI=1S/C11H13NS/c1-10(12-9-13)7-8-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKey DZVAJQOWQXBKHL-UHFFFAOYSA-N
Mol Weight 191.29 g/mol
Molecular Formula C11H13NS
Exact Mass 191.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UhnyO1OTlu
Name .alpha.-methyl-.gamma.-phenylpropyl isothiocyanate
Alternate Name(s) (3-Isothiocyanatobutyl)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NS
InChI InChI=1S/C11H13NS/c1-10(12-9-13)7-8-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3
InChIKey DZVAJQOWQXBKHL-UHFFFAOYSA-N
Molecular Weight 191.292 g/mol
SMILES C(N=C=S)(CCc1ccccc1)C
SPLASH splash10-0006-9700000000-40d64ae315651671f806
Source of Spectrum HC-16-1151-0
Wiley ID 1187591