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3,3-Dimethyl-2-(1,3-thiazol-2-ylcarbonyl)butanenitrile
SpectraBase Compound ID IT7d47eVXdh
InChI InChI=1S/C10H12N2OS/c1-10(2,3)7(6-11)8(13)9-12-4-5-14-9/h4-5,7H,1-3H3
InChIKey MQRWYUYKZOAAQO-UHFFFAOYSA-N
Mol Weight 208.28 g/mol
Molecular Formula C10H12N2OS
Exact Mass 208.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BEZ6pCbgypk
Name 3,3-Dimethyl-2-(1,3-thiazol-2-ylcarbonyl)butanenitrile
CAS Registry Number 79265-40-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H12N2OS
InChI InChI=1S/C10H12N2OS/c1-10(2,3)7(6-11)8(13)9-12-4-5-14-9/h4-5,7H,1-3H3
InChIKey MQRWYUYKZOAAQO-UHFFFAOYSA-N
Molecular Weight 208.279 g/mol
SMILES C(c1nccs1)(C(C#N)C(C)(C)C)=O
SPLASH splash10-03di-0900000000-fccec5724c7c4f55d442
Source of Spectrum J-49-594-0
Synonyms 3,3-Dimethyl-2-(1,3-thiazole-2-carbonyl)butanenitrile 3,3-Dimethyl-2-(thiazole-2-carbonyl)butanenitrile 3,3-Dimethyl-2-(thiazole-2-carbonyl)butyronitrile 3,3-Dimethyl-2-[oxo(2-thiazolyl)methyl]butanenitrile
Wiley ID 1206395