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7-(4-tert-Butylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID DBCQgUrVC4G
InChI InChI=1S/C17H17N3OS/c1-17(2,3)12-6-4-11(5-7-12)14-13(10-18)15(21)20-8-9-22-16(20)19-14/h4-7H,8-9H2,1-3H3
InChIKey MQEPVWKVIBIVDU-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HhsFHZEm2kv
Name 7-(4-tert-Butylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
Alternate Name(s) 2H-Thiazolo[3,2-a]pyrimidine-6-carbonitrile, 3,5-dihydro-7-(4-tert-butylphenyl)-5-oxo- 7-(4-tert-butylphenyl)-5-keto-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile 7-(4-tert-butylphenyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile 7-(4-tert-butylphenyl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile 7-(4-tert-butylphenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile
CAS Registry Number 309740-20-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-17(2,3)12-6-4-11(5-7-12)14-13(10-18)15(21)20-8-9-22-16(20)19-14/h4-7H,8-9H2,1-3H3
InChIKey MQEPVWKVIBIVDU-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES CC(c1ccc(C2=C(C(N3C(=N2)SCC3)=O)C#N)cc1)(C)C
SPLASH splash10-0002-8692000000-8eb206dd2699403a41d8
Source of Spectrum AD-0-2532-0
Wiley ID 1430899