| SpectraBase Compound ID | CF8X6Dnd1na |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey | KSHVDKDQYBNSAN-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 | 25LQUW2tw1U |
|---|---|
| Name | p-Hydroxybenzoic acid, isopentyl 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/c1-9(2)7-8-15-12(14)10-3-5-11(13)6-4-10/h3-6,9,13H,7-8H2,1-2H3 |
| InChIKey | KSHVDKDQYBNSAN-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | OC=1C=CC(=CC1)C(OCCC(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990919 |