| SpectraBase Compound ID | JUtdRM35hv4 |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-5-18-14(16)11(2)13-8-6-12(7-9-13)10-15(3,4)17/h6-9,11,17H,5,10H2,1-4H3 |
| InChIKey | ABPLGWFZGAXDPN-UHFFFAOYSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4U36S28I97 |
|---|---|
| Name | 2-Hydroxyibuprofen, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.156894565 u |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-5-18-14(16)11(2)13-8-6-12(7-9-13)10-15(3,4)17/h6-9,11,17H,5,10H2,1-4H3 |
| InChIKey | ABPLGWFZGAXDPN-UHFFFAOYSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1(=CC=C(C=C1)CC(O)(C)C)C(C(OCC)=O)C |