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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 dc1lG2bfrv
Name tert-Butyl isothiocyanate
Appearance Colorless oil
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
Instrument Name GCMS
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.6
Molecular Weight 115.194 g/mol
SMILES C(N=C=S)(C)(C)C
SPLASH splash10-066r-9800000000-97c1618682d115e3825a
Source of Spectrum BJO-8-SM4-4-1
Wiley ID 1867385