| SpectraBase Compound ID | B0YbuQ64pui |
|---|---|
| InChI | InChI=1S/C17H18O4/c1-12(17(18)20-3)13-5-4-6-16(11-13)21-15-9-7-14(19-2)8-10-15/h4-12H,1-3H3 |
| InChIKey | JSINARUSGWHKAW-UHFFFAOYSA-N |
| Mol Weight | 286.33 g/mol |
| Molecular Formula | C17H18O4 |
| Exact Mass | 286.120509 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BS5KnXO55WU |
|---|---|
| Name | Fenoprofen-m (ho-) 2me P815 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.120509056 u |
| Formula | C17H18O4 |
| InChI | InChI=1S/C17H18O4/c1-12(17(18)20-3)13-5-4-6-16(11-13)21-15-9-7-14(19-2)8-10-15/h4-12H,1-3H3 |
| InChIKey | JSINARUSGWHKAW-UHFFFAOYSA-N |
| SMILES | C1(=CC=C(C=C1)OC)OC=1C=C(C=CC1)C(C(OC)=O)C |