| SpectraBase Compound ID | EbKbfNm8tD8 |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12) |
| InChIKey | IQAJOXWTCPIEQQ-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K647hXAl3E4 |
|---|---|
| Name | (3-Formylphenyl)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.047344115 u |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c10-6-8-3-1-2-7(4-8)5-9(11)12/h1-4,6H,5H2,(H,11,12) |
| InChIKey | IQAJOXWTCPIEQQ-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C(CC=1C=C(C=CC1)C=O)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972431 |