| SpectraBase Compound ID | CEZTfDjzkj2 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-10(8-12(13)14-2)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | JXBBMSDQNOELFF-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6QHJDm0satQ |
|---|---|
| Name | 3-Benzyloxybutanoic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-10(8-12(13)14-2)15-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3 |
| InChIKey | JXBBMSDQNOELFF-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | CC(OCC1=CC=CC=C1)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970188 |