| SpectraBase Compound ID | Bsa2urBaNKv |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | ZYODXRYBYZMUNL-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ENp8kLSIZ6a |
|---|---|
| Name | 3-(4-Methylphenyl)propanoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-9-3-5-10(6-4-9)7-8-11(12)13-2/h3-6H,7-8H2,1-2H3 |
| InChIKey | ZYODXRYBYZMUNL-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C(=O)(CCC=1C=CC(=CC1)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935307 |