| SpectraBase Compound ID | BR2ZhLBOUtM |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 |
| InChIKey | ZTJORNVITHUQJA-UHFFFAOYSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GzIqcxlKm37 |
|---|---|
| Name | p-Hydroxybenzoic acid, heptyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.141244501 u |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-14(16)12-7-9-13(15)10-8-12/h7-10,15H,2-6,11H2,1H3 |
| InChIKey | ZTJORNVITHUQJA-UHFFFAOYSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | OC=1C=CC(=CC1)C(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.993287 |