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Isothiocyanic acid, isobutyl ester
SpectraBase Compound ID 3D6mqfLUJzN
InChI InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChIKey NSDDRJXKROCWRZ-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 FIigLHjVOPB
Name PROPANE, 1-ISOTHIOCYANATO-2-METHYL-
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 115.045570468 u
Formula C5H9NS
InChI InChI=1S/C5H9NS/c1-5(2)3-6-4-7/h5H,3H2,1-2H3
InChIKey NSDDRJXKROCWRZ-UHFFFAOYSA-N
Molecular Weight 115.194 g/mol
Nominal Mass 115 u
Number of Peaks 47
SMILES CC(CN=C=S)C
SPLASH splash10-05tf-9200000000-61c56c63294d1fd3fa00
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany
Wiley ID MVX000875