| SpectraBase Compound ID | HeqxoKqppJD |
|---|---|
| InChI | InChI=1S/C18H17NO3S/c1-13-17(23-16-10-6-5-9-15(16)19-13)18(20)22-12-11-21-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3 |
| InChIKey | NFKXVIPFOQASJV-UHFFFAOYSA-N |
| Mol Weight | 327.4 g/mol |
| Molecular Formula | C18H17NO3S |
| Exact Mass | 327.092915 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ozEPqYF6PR |
|---|---|
| Name | 4H-1,4-Benzothiazine-2-carboxylic acid, 3-methyl-, 2-phenoxyethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.092914582 u |
| Formula | C18H17NO3S |
| InChI | InChI=1S/C18H17NO3S/c1-13-17(23-16-10-6-5-9-15(16)19-13)18(20)22-12-11-21-14-7-3-2-4-8-14/h2-10,19H,11-12H2,1H3 |
| InChIKey | NFKXVIPFOQASJV-UHFFFAOYSA-N |
| SMILES | N1C=2C=CC=CC2SC(=C1C)C(=O)OCCOC1=CC=CC=C1 |