| SpectraBase Compound ID | FAoSLpwZprX |
|---|---|
| InChI | InChI=1S/C9H8O3/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,10,11) |
| InChIKey | RBIFJUFOAYMXFE-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 | I3n4HlPDmU |
|---|---|
| Name | 3-Benzofurancarboxylic acid, 2,3-dihydro- |
| 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/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-4,7H,5H2,(H,10,11) |
| InChIKey | RBIFJUFOAYMXFE-UHFFFAOYSA-N |
| Molecular Weight | 164.160 g/mol |
| SMILES | C12=C(C=CC=C2)OCC1C(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860353 |