| SpectraBase Compound ID | 7VCb7R0kv1b |
|---|---|
| InChI | InChI=1S/C15H20O3/c1-2-3-4-5-6-7-15(17)18-14-10-8-13(12-16)9-11-14/h8-12H,2-7H2,1H3 |
| InChIKey | CRNAPIOANHRWDJ-UHFFFAOYSA-N |
| Mol Weight | 248.32 g/mol |
| Molecular Formula | C15H20O3 |
| Exact Mass | 248.141245 g/mol |
| SpectraBase Spectrum ID | CZFubnnQtXx |
|---|---|
| Name | p-Hydroxybenzaldehyde, octanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.141244501 u |
| Formula | C15H20O3 |
| InChI | InChI=1S/C15H20O3/c1-2-3-4-5-6-7-15(17)18-14-10-8-13(12-16)9-11-14/h8-12H,2-7H2,1H3 |
| InChIKey | CRNAPIOANHRWDJ-UHFFFAOYSA-N |
| Molecular Weight | 248.322 g/mol |
| SMILES | C=1C(=CC=C(C1)C=O)OC(CCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.917642 |