| SpectraBase Compound ID | 3mafEAEiBzS |
|---|---|
| InChI | InChI=1S/C15H14O4/c1-10-5-7-11(8-6-10)9-19-15(18)14-12(16)3-2-4-13(14)17/h2-8,16-17H,9H2,1H3 |
| InChIKey | NDJATXVDUQIRHS-UHFFFAOYSA-N |
| Mol Weight | 258.27 g/mol |
| Molecular Formula | C15H14O4 |
| Exact Mass | 258.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4By2T7qovO6 |
|---|---|
| Name | Benzoic acid, 2,6-dihydroxy-, (4-methylphenyl)methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.089208927 u |
| Formula | C15H14O4 |
| InChI | InChI=1S/C15H14O4/c1-10-5-7-11(8-6-10)9-19-15(18)14-12(16)3-2-4-13(14)17/h2-8,16-17H,9H2,1H3 |
| InChIKey | NDJATXVDUQIRHS-UHFFFAOYSA-N |
| Molecular Weight | 258.273 g/mol |
| SMILES | CC1=CC=C(C=C1)COC(=O)C1=C(O)C=CC=C1O |