| SpectraBase Compound ID | FmjT0p1CYfK |
|---|---|
| InChI | InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13) |
| InChIKey | BIABIACQHKYEEB-UHFFFAOYSA-N |
| Mol Weight | 176.17 g/mol |
| Molecular Formula | C10H8O3 |
| Exact Mass | 176.047344 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | AdsUlUnCMSw |
|---|---|
| Name | 1-Indanone-6-carboxylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.047344115 u |
| Formula | C10H8O3 |
| InChI | InChI=1S/C10H8O3/c11-9-4-3-6-1-2-7(10(12)13)5-8(6)9/h1-2,5H,3-4H2,(H,12,13) |
| InChIKey | BIABIACQHKYEEB-UHFFFAOYSA-N |
| Molecular Weight | 176.171 g/mol |
| SMILES | C1(=O)CCC2=CC=C(C=C12)C(=O)O |
| Spectrum/Structure Validation Score (Raman) | 0.938691 |