| SpectraBase Compound ID | CQueztZTR5s |
|---|---|
| InChI | InChI=1S/C14H17NO4/c1-9-4-10(2)6-12(5-9)18-8-13-7-15(11(3)16)14(17)19-13/h4-6,13H,7-8H2,1-3H3 |
| InChIKey | CTJHEXPNQYPIPU-UHFFFAOYSA-N |
| Mol Weight | 263.29 g/mol |
| Molecular Formula | C14H17NO4 |
| Exact Mass | 263.115758 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5byqkeb79f7 |
|---|---|
| Name | Metaxalone, N-acetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.115758027 u |
| Formula | C14H17NO4 |
| InChI | InChI=1S/C14H17NO4/c1-9-4-10(2)6-12(5-9)18-8-13-7-15(11(3)16)14(17)19-13/h4-6,13H,7-8H2,1-3H3 |
| InChIKey | CTJHEXPNQYPIPU-UHFFFAOYSA-N |
| Molecular Weight | 263.293 g/mol |
| SMILES | CC1=CC(=CC(=C1)OCC1CN(C(C)=O)C(O1)=O)C |