| SpectraBase Compound ID | 9evtN7dQnGb |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H,11,12) |
| InChIKey | ZMXUPQVAIFGMPS-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1oDHe5YBEyx |
|---|---|
| Name | 3-Propoxy-benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.078644243 u |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-9)10(11)12/h3-5,7H,2,6H2,1H3,(H,11,12) |
| InChIKey | ZMXUPQVAIFGMPS-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C(C1=CC(OCCC)=CC=C1)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961923 |