| SpectraBase Compound ID | 5vEA4g7aWlS |
|---|---|
| InChI | InChI=1S/C16H24O3/c1-5-10-19-15(17)12(2)14-8-6-13(7-9-14)11-16(3,4)18/h6-9,12,18H,5,10-11H2,1-4H3 |
| InChIKey | DMXCFTBLTQRVLM-UHFFFAOYSA-N |
| Mol Weight | 264.36 g/mol |
| Molecular Formula | C16H24O3 |
| Exact Mass | 264.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J2tzDjcp81a |
|---|---|
| Name | 2-Hydroxyibuprofen, N-propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.172544630 u |
| Formula | C16H24O3 |
| InChI | InChI=1S/C16H24O3/c1-5-10-19-15(17)12(2)14-8-6-13(7-9-14)11-16(3,4)18/h6-9,12,18H,5,10-11H2,1-4H3 |
| InChIKey | DMXCFTBLTQRVLM-UHFFFAOYSA-N |
| Molecular Weight | 264.365 g/mol |
| SMILES | C1(=CC=C(C=C1)CC(O)(C)C)C(C(OCCC)=O)C |