| SpectraBase Compound ID | Hk1uwN93PPb |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3 |
| InChIKey | KAXLTAULVFFCNL-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 | 7EfGojZCnw8 |
|---|---|
| Name | Benzoic acid, 4-(1-hydroxyethyl)-, methyl ester |
| 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/c1-7(11)8-3-5-9(6-4-8)10(12)13-2/h3-7,11H,1-2H3 |
| InChIKey | KAXLTAULVFFCNL-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C(C1=CC=C(C=C1)C(O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.80041 |