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Butane, 2-isothiocyanato-
SpectraBase Compound ID 1RummXSmufO
InChI InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChIKey TUFJIDJGIQOYFY-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 B2oLaB0qCx6
Name Butane, 2-isothiocyanato-
CAS Registry Number 4426-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
InChIKey TUFJIDJGIQOYFY-UHFFFAOYSA-N
Molecular Weight 115.194 g/mol
SMILES CCC(C)N=C=S
SPLASH splash10-004i-9000000000-8c772cea4ff700b07745
Source of Spectrum AA-0-413-3
Synonyms 2-Isothiocyanatobutane sec-Butyl isothiocyanate 2-Butyl isothiocyanate Isothiocyanic acid, sec-butyl ester EINECS 224-609-8
Wiley ID 3384