| SpectraBase Spectrum ID |
CVIanr06JPw |
| Name |
Ethyl 3-oxo-8-phenyl-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-A]pyridine-2-carboxylae |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.092914582 u |
| Formula |
C16H17NO3S |
| InChI |
InChI=1S/C16H17NO3S/c1-2-20-16(19)13-14(18)17-10-6-9-12(15(17)21-13)11-7-4-3-5-8-11/h3-5,7-8,13H,2,6,9-10H2,1H3 |
| InChIKey |
YCUZRCZUGDWEOD-UHFFFAOYSA-N |
| Molecular Weight |
303.376 g/mol |
| SMILES |
C=12N(C(=O)C(S2)C(=O)OCC)CCCC1C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968414 |
![Ethyl 3-oxo-8-phenyl-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-2-carboxylae](/api/spectrum/CVIanr06JPw/structure.png?h=300&w=458 "Ethyl 3-oxo-8-phenyl-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyridine-2-carboxylae")
