| SpectraBase Compound ID | BE1GLb62UN8 |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MEPOOZLETHNMSR-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 99UH0JkMYtV |
|---|---|
| Name | Butyric acid, p-methoxybenzyl 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/c1-3-4-12(13)15-9-10-5-7-11(14-2)8-6-10/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MEPOOZLETHNMSR-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C=1C(=CC=C(C1)OC)COC(CCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.977493 |