| SpectraBase Compound ID | 3O8k8gaYcHr |
|---|---|
| InChI | InChI=1S/C21H16O4/c22-19-9-5-4-8-18(19)21(24)25-14-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,22H,14H2 |
| InChIKey | PTEGBOQTRCNNLL-UHFFFAOYSA-N |
| Mol Weight | 332.36 g/mol |
| Molecular Formula | C21H16O4 |
| Exact Mass | 332.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GLujeYQaWc8 |
|---|---|
| Name | Salicylic acid, p-phenylphenacyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.104858991 u |
| Formula | C21H16O4 |
| InChI | InChI=1S/C21H16O4/c22-19-9-5-4-8-18(19)21(24)25-14-20(23)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-13,22H,14H2 |
| InChIKey | PTEGBOQTRCNNLL-UHFFFAOYSA-N |
| Molecular Weight | 332.355 g/mol |
| SMILES | OC1=CC=CC=C1C(OCC(C1=CC=C(C=C1)C=1C=CC=CC1)=O)=O |