| SpectraBase Compound ID | GnvSck5QoPV |
|---|---|
| InChI | InChI=1S/C10H12O3/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,11H,6-7H2,1H3 |
| InChIKey | YHXYRISRGHSPNV-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 | F4DWOttR7ob |
|---|---|
| Name | Methyl 3-(2-hydroxyphenyl)propionate |
| 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/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5,11H,6-7H2,1H3 |
| InChIKey | YHXYRISRGHSPNV-UHFFFAOYSA-N |
| Molecular Weight | 180.203 g/mol |
| SMILES | C1=CC=C(C(=C1)O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949262 |