| SpectraBase Compound ID | AazMa4ZVFg9 |
|---|---|
| InChI | InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12) |
| InChIKey | XIRRHMRGKFDBIA-UHFFFAOYSA-N |
| Mol Weight | 195.22 g/mol |
| Molecular Formula | C10H13NO3 |
| Exact Mass | 195.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | KLkcjCgHL0S |
|---|---|
| Name | 1,6-Dihydro-2,4-dimethyl-6-oxonicotinic acid, ethyl ester |
| 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/c1-4-14-10(13)9-6(2)5-8(12)11-7(9)3/h5H,4H2,1-3H3,(H,11,12) |
| InChIKey | XIRRHMRGKFDBIA-UHFFFAOYSA-N |
| SMILES | N1C(C=C(C(=C1C)C(OCC)=O)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.988953 |