| SpectraBase Compound ID | G36293hUgE1 |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-20-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3 |
| InChIKey | KEAYUMWWUCQQPN-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | mQ9SPCAN6e |
|---|---|
| Name | Fenbufen-m (dihydro-) me P719 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-20-17(19)12-11-16(18)15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3 |
| InChIKey | KEAYUMWWUCQQPN-UHFFFAOYSA-N |
| SMILES | C1(=CC=CC=C1)C=1C=CC(=CC1)C(CCC(OC)=O)O |