| SpectraBase Compound ID | ClczIGM5ERk |
|---|---|
| InChI | InChI=1S/C13H12O3/c14-12-5-4-10-7-9(2-6-13(15)16)1-3-11(10)8-12/h1,3-5,7-8,14H,2,6H2,(H,15,16) |
| InChIKey | NHGXZNWPADXVOA-UHFFFAOYSA-N |
| Mol Weight | 216.24 g/mol |
| Molecular Formula | C13H12O3 |
| Exact Mass | 216.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uZGunTkUYr |
|---|---|
| Name | Nabumetone-metabolite |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.078644243 u |
| Formula | C13H12O3 |
| InChI | InChI=1S/C13H12O3/c14-12-5-4-10-7-9(2-6-13(15)16)1-3-11(10)8-12/h1,3-5,7-8,14H,2,6H2,(H,15,16) |
| InChIKey | NHGXZNWPADXVOA-UHFFFAOYSA-N |
| Molecular Weight | 216.236 g/mol |
| SMILES | OC(CCc1ccc2c(ccc(c2)O)c1)=O |