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2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile
SpectraBase Compound ID A8gleBH79vl
InChI InChI=1S/C9H12N2S/c1-9(2,3)7-6-12-8(11-7)4-5-10/h6H,4H2,1-3H3
InChIKey UQISVQVOVFZPGU-UHFFFAOYSA-N
Mol Weight 180.27 g/mol
Molecular Formula C9H12N2S
Exact Mass 180.07212 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DRT4rFmkLF
Name 2-(4-tert-butyl-1,3-thiazol-2-yl)acetonitrile
CAS Registry Number 79455-62-2
Comments Less than 3 mono-isotopic peaks
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Formula C9H12N2S
InChI InChI=1S/C9H12N2S/c1-9(2,3)7-6-12-8(11-7)4-5-10/h6H,4H2,1-3H3
InChIKey UQISVQVOVFZPGU-UHFFFAOYSA-N
Molecular Weight 180.269 g/mol
SMILES c1(nc(sc1)CC#N)C(C)(C)C
SPLASH splash10-001i-0900000000-e3b5bd02c9a3978e8407
Source of Spectrum KC-1985-1625-9
Synonyms 2-(4-tert-butyl-1,3-thiazol-2-yl)ethanenitrile 2-(4-tert-butyl-2-thiazolyl)acetonitrile 2-(4-tert-butylthiazol-2-yl)acetonitrile
Wiley ID 1175995