| SpectraBase Spectrum ID |
3F60pE7Tpw3 |
| Name |
2-Butenoic acid, 4-(6,7-dihydro-3-oxo-5H-thiazolo[3,2-A]pyrimidin-2(3H)-ylidene)-, methyl ester, (Z,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.056863425 u |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877908 |
![2-Butenoic acid, 4-(6,7-dihydro-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)-, methyl ester, (Z,E)-](/api/spectrum/3F60pE7Tpw3/structure.png?h=300&w=458 "2-Butenoic acid, 4-(6,7-dihydro-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)-, methyl ester, (Z,E)-")
