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Butane, 1-isothiocyanato-3-methyl-
SpectraBase Compound ID KrbQxw1JsN1
InChI InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
InChIKey JATNWMBUDXLMEO-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GA0vHYYAIFy
Name Butane, 1-isothiocyanato-3-methyl-
CAS Registry Number 628-03-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c1-6(2)3-4-7-5-8/h6H,3-4H2,1-2H3
InChIKey JATNWMBUDXLMEO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ffj.1163
Molecular Weight 129.221 g/mol
SMILES C(CC(C)C)N=C=S
SPLASH splash10-01ox-9500000000-d41d68fab409101cd771
Source of Spectrum FF-18-150-150_1
Synonyms 3-Methylbutyl isothiocyanate 1-Isothiocyanato-3-methylbutane
Wiley ID 1775331