| SpectraBase Compound ID | GXOYn0ruxEA |
|---|---|
| InChI | InChI=1S/C11H9NO3/c1-7(13)12-6-9(11(14)15)8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15) |
| InChIKey | GHLPNUSFQJHAPG-UHFFFAOYSA-N |
| Mol Weight | 203.2 g/mol |
| Molecular Formula | C11H9NO3 |
| Exact Mass | 203.058243 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5JFrRmR3UZu |
|---|---|
| Name | 1-Acetylindole-3-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 203.058243151 u |
| Formula | C11H9NO3 |
| InChI | InChI=1S/C11H9NO3/c1-7(13)12-6-9(11(14)15)8-4-2-3-5-10(8)12/h2-6H,1H3,(H,14,15) |
| InChIKey | GHLPNUSFQJHAPG-UHFFFAOYSA-N |
| Molecular Weight | 203.197 g/mol |
| SMILES | OC(C1=CN(C=2C=CC=CC12)C(C)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.918142 |