| SpectraBase Compound ID | 37P9uGybHSa |
|---|---|
| InChI | InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3 |
| InChIKey | CAABRJFUDNBRJZ-UHFFFAOYSA-N |
| Mol Weight | 164.2 g/mol |
| Molecular Formula | C10H12O2 |
| Exact Mass | 164.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Ilf1zSB5JOi |
|---|---|
| Name | Benzoic acid, 4-ethyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.083729624 u |
| Formula | C10H12O2 |
| InChI | InChI=1S/C10H12O2/c1-3-8-4-6-9(7-5-8)10(11)12-2/h4-7H,3H2,1-2H3 |
| InChIKey | CAABRJFUDNBRJZ-UHFFFAOYSA-N |
| Molecular Weight | 164.204 g/mol |
| SMILES | C1=CC(=CC=C1CC)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845821 |