| SpectraBase Compound ID | JGujFxcDRc9 |
|---|---|
| InChI | InChI=1S/C12H13NO2/c1-3-15-12(14)10-8-13(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3 |
| InChIKey | IBJWUHMVFHWYQO-UHFFFAOYSA-N |
| Mol Weight | 203.24 g/mol |
| Molecular Formula | C12H13NO2 |
| Exact Mass | 203.094629 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9NsLsJ12g1Z |
|---|---|
| Name | 1-Methylindole-3-carboxylic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.094628661 u |
| Formula | C12H13NO2 |
| InChI | InChI=1S/C12H13NO2/c1-3-15-12(14)10-8-13(2)11-7-5-4-6-9(10)11/h4-8H,3H2,1-2H3 |
| InChIKey | IBJWUHMVFHWYQO-UHFFFAOYSA-N |
| Molecular Weight | 203.241 g/mol |
| SMILES | C=12C=CC=CC1N(C=C2C(OCC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.79005 |