| SpectraBase Compound ID | BmbV4iklEyo |
|---|---|
| InChI | InChI=1S/C11H13NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13) |
| InChIKey | VGXVLVNJSSONHX-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C11H13NO3 |
| Exact Mass | 207.089543 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JUGRhMTQfWP |
|---|---|
| Name | N-Propionylanthranilic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 207.089543280 u |
| Formula | C11H13NO3 |
| InChI | InChI=1S/C11H13NO3/c1-3-10(13)12-9-7-5-4-6-8(9)11(14)15-2/h4-7H,3H2,1-2H3,(H,12,13) |
| InChIKey | VGXVLVNJSSONHX-UHFFFAOYSA-N |
| Molecular Weight | 207.229 g/mol |
| SMILES | N(C1=CC=CC=C1C(=O)OC)C(CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.716972 |