| SpectraBase Compound ID | 1cS5vNZeah9 |
|---|---|
| InChI | InChI=1S/C16H14ClNO2S/c1-19-13-7-11-15(8-14(13)20-2)21-9-18-16(11)10-5-3-4-6-12(10)17/h3-8H,9H2,1-2H3 |
| InChIKey | NIDXLXKHNKKFPK-UHFFFAOYSA-N |
| Mol Weight | 319.81 g/mol |
| Molecular Formula | C16H14ClNO2S |
| Exact Mass | 319.043378 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DEn8JFgtv2I |
|---|---|
| Name | 2H-1,3-Benzothiazine, 4-(2-chlorophenyl)-6,7-dimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.043377567 u |
| Formula | C16H14ClNO2S |
| InChI | InChI=1S/C16H14ClNO2S/c1-19-13-7-11-15(8-14(13)20-2)21-9-18-16(11)10-5-3-4-6-12(10)17/h3-8H,9H2,1-2H3 |
| InChIKey | NIDXLXKHNKKFPK-UHFFFAOYSA-N |
| Molecular Weight | 319.806 g/mol |
| SMILES | C=1(C=2C(=CC(=C(C2)OC)OC)SCN1)C=1C(Cl)=CC=CC1 |