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2-Butenoic acid, 4-(6,7-dihydro-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)-, methyl ester, (Z,E)-
SpectraBase Compound ID HT9wfH3pZmd
InChI InChI=1S/C11H12N2O3S/c1-16-9(14)5-2-4-8-10(15)13-7-3-6-12-11(13)17-8/h2,4-5H,3,6-7H2,1H3/b5-2-,8-4+
InChIKey OXKQROQEWDKEND-YBKDNAGHSA-N
Mol Weight 252.29 g/mol
Molecular Formula C11H12N2O3S
Exact Mass 252.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DLgk9X0crV9
Name 2-Butenoic acid, 4-(6,7-dihydro-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)-, methyl ester, (Z,E)-
CAS Registry Number 83443-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H12N2O3S
InChI InChI=1S/C11H12N2O3S/c1-16-9(14)5-2-4-8-10(15)13-7-3-6-12-11(13)17-8/h2,4-5H,3,6-7H2,1H3/b5-2-,8-4+
InChIKey OXKQROQEWDKEND-YBKDNAGHSA-N
Molecular Weight 252.288 g/mol
SMILES C=12N(C(\C(S2)=C/C=C\C(=O)OC)=O)CCCN1
SPLASH splash10-0006-1910000000-dc083675ef6d8528bd91
Source of Spectrum KC-1982-1910-0
Synonyms 5H-thiazolo[3,2-a]pyrimidine, 2-butenoic acid deriv. Methyl (2Z,4E)-4-(3-oxo-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)-2-butenoate Methyl(2E,4Z)-4-(2,3,4,6,7-tetrahydro-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene)but-2-en-1-oate
Wiley ID 1255099