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ISOTHIOCYANIC ACID, tert-BUTYL ESTER
SpectraBase Compound ID HBcWBptb0oJ
InChI InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Mol Weight 115.19 g/mol
Molecular Formula C5H9NS
Exact Mass 115.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ISnifqDqDJo
Name 2-Isothiocyanato-2-methylpropane
Alternate Name(s) 2-isothiocyanato-2-methyl-propane Isothiocyanic acid, tert-butyl ester tert-Butyl Isothiocyanate Propane, 2-isothiocyanato-2-methyl- t-Butyl isothiocyanate EINECS 209-682-6
CAS Registry Number 590-42-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-5(2,3)6-4-7/h1-3H3
InChIKey ZFWFRTVIIMTOLY-UHFFFAOYSA-N
Molecular Weight 115.194 g/mol
SMILES CC(C)(C)N=C=S
SPLASH splash10-05tf-9200000000-0a6cd7bdca565098f97c
Source of Spectrum JZ-1992-4247-0
Wiley ID 1125068