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2-Butenenitrile, 4-(2-methyl-4-thiazolyl)-4-oxo-
SpectraBase Compound ID Bnahg1opXAW
InChI InChI=1S/C8H6N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h2-3,5H,1H3/b3-2+
InChIKey PGSQFCSTPZTMQY-NSCUHMNNSA-N
Mol Weight 178.21 g/mol
Molecular Formula C8H6N2OS
Exact Mass 178.020084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bawOTqooMC
Name 2-Butenenitrile, 4-(2-methyl-4-thiazolyl)-4-oxo-
Alternate Name(s) (2E)-4-(2-methyl-1,3-thiazol-4-yl)-4-oxo-2-butenenitrile 1-(2-Methyl-4-thiazolyl)-3-cyano-1-propenone
CAS Registry Number 80345-51-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N2OS
InChI InChI=1S/C8H6N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h2-3,5H,1H3/b3-2+
InChIKey PGSQFCSTPZTMQY-NSCUHMNNSA-N
Molecular Weight 178.209 g/mol
SMILES c1(nc(sc1)C)C(\C=C\C#N)=O
SPLASH splash10-0kdi-8900000000-9265b5d0e1c41594da97
Source of Spectrum KO-8-309-6
Wiley ID 1173684