| SpectraBase Compound ID | AV696FqOE0G |
|---|---|
| InChI | InChI=1S/C15H17NO5/c1-9-11(7-14(17)21-8-15(18)20-3)12-6-10(19-2)4-5-13(12)16-9/h4-6,16H,7-8H2,1-3H3 |
| InChIKey | WMPCRTHTMGAYBY-UHFFFAOYSA-N |
| Mol Weight | 291.3 g/mol |
| Molecular Formula | C15H17NO5 |
| Exact Mass | 291.110673 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GqCvcJ0LwAR |
|---|---|
| Name | Acemetacin artifact-2 me P847 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.110672646 u |
| Formula | C15H17NO5 |
| InChI | InChI=1S/C15H17NO5/c1-9-11(7-14(17)21-8-15(18)20-3)12-6-10(19-2)4-5-13(12)16-9/h4-6,16H,7-8H2,1-3H3 |
| InChIKey | WMPCRTHTMGAYBY-UHFFFAOYSA-N |
| SMILES | C1(C)=C(C=2C(=CC=C(OC)C2)N1)CC(=O)OCC(=O)OC |