| SpectraBase Spectrum ID |
8aGzjTLohPR |
| Name |
Ethyl ester of 6-oxo-(1H)-2-picolin-1-ylacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.089543280 u |
| Formula |
C10H13NO3 |
| InChI |
InChI=1S/C10H13NO3/c1-3-14-10(13)7-11-8(2)5-4-6-9(11)12/h4-6H,3,7H2,1-2H3 |
| InChIKey |
WRJCZDZMWMAJAO-UHFFFAOYSA-N |
| Molecular Weight |
195.218 g/mol |
| SMILES |
C1(N(C(=CC=C1)C)CC(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965496 |
