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4-Thiazolebutanenitrile, 2-methyl-.gamma.-oxo-
SpectraBase Compound ID G7xvKF3pwH2
InChI InChI=1S/C8H8N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h5H,2-3H2,1H3
InChIKey CTTMLLCEXWIMON-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C8H8N2OS
Exact Mass 180.035734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5OJu0lVvQKC
Name 4-Thiazolebutanenitrile, 2-methyl-.gamma.-oxo-
CAS Registry Number 80345-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2OS
InChI InChI=1S/C8H8N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h5H,2-3H2,1H3
InChIKey CTTMLLCEXWIMON-UHFFFAOYSA-N
Molecular Weight 180.225 g/mol
SMILES c1(nc(sc1)C)C(=O)CCC#N
SPLASH splash10-056r-9500000000-94ec0afd67eef1448f2e
Source of Spectrum KO-8-309-7
Synonyms 1-(2-Methyl-4-thiazolyl)-3-cyano-1-propanone 4-(2-Methyl-1,3-thiazol-4-yl)-4-oxobutanenitrile
Wiley ID 1175825