| SpectraBase Compound ID | K8zWERDTjty |
|---|---|
| InChI | InChI=1S/C15H12O4/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9,16H,1H3 |
| InChIKey | IKMDAJBBMNDKJY-UHFFFAOYSA-N |
| Mol Weight | 256.26 g/mol |
| Molecular Formula | C15H12O4 |
| Exact Mass | 256.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5mH8ODKmDJC |
|---|---|
| Name | Benzoic acid, 2-(4-hydroxybenzoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.073558862 u |
| Formula | C15H12O4 |
| InChI | InChI=1S/C15H12O4/c1-19-15(18)13-5-3-2-4-12(13)14(17)10-6-8-11(16)9-7-10/h2-9,16H,1H3 |
| InChIKey | IKMDAJBBMNDKJY-UHFFFAOYSA-N |
| Molecular Weight | 256.257 g/mol |
| SMILES | C(=O)(C1=C(C(OC)=O)C=CC=C1)C1=CC=C(C=C1)O |