| SpectraBase Compound ID | 62QJ9BdUkiR |
|---|---|
| InChI | InChI=1S/C11H14O3/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | PLLAGNDLRNXFLU-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Goxj2Dqg9MZ |
|---|---|
| Name | Propanoic acid, 3-(phenylmethoxy)-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c1-13-11(12)7-8-14-9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3 |
| InChIKey | PLLAGNDLRNXFLU-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(OCCC(OC)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.983001 |