| SpectraBase Compound ID | 7A5THR2RO8T |
|---|---|
| InChI | InChI=1S/C17H16O3/c1-20-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 |
| InChIKey | NHEVNQGUSJUPBZ-UHFFFAOYSA-N |
| Mol Weight | 268.31 g/mol |
| Molecular Formula | C17H16O3 |
| Exact Mass | 268.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1FEun22hFtx |
|---|---|
| Name | Fenbufen methyl derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.109944372 u |
| Formula | C17H16O3 |
| InChI | InChI=1S/C17H16O3/c1-20-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10H,11-12H2,1H3 |
| InChIKey | NHEVNQGUSJUPBZ-UHFFFAOYSA-N |
| Molecular Weight | 268.312 g/mol |
| SMILES | C1=CC(=CC=C1C(CCC(OC)=O)=O)C1=CC=CC=C1 |