| SpectraBase Compound ID | 5jqI0wCbysp |
|---|---|
| InChI | InChI=1S/C17H17NO2S/c1-11-6-4-5-7-12(11)17-13-8-14(19-2)15(20-3)9-16(13)21-10-18-17/h4-9H,10H2,1-3H3 |
| InChIKey | IZHQPFNXVOVUTC-UHFFFAOYSA-N |
| Mol Weight | 299.39 g/mol |
| Molecular Formula | C17H17NO2S |
| Exact Mass | 299.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJCJuEgvPKs |
|---|---|
| Name | 2H-1,3-Benzothiazine, 6,7-dimethoxy-4-(2-methylphenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.097999963 u |
| Formula | C17H17NO2S |
| InChI | InChI=1S/C17H17NO2S/c1-11-6-4-5-7-12(11)17-13-8-14(19-2)15(20-3)9-16(13)21-10-18-17/h4-9H,10H2,1-3H3 |
| InChIKey | IZHQPFNXVOVUTC-UHFFFAOYSA-N |
| Molecular Weight | 299.388 g/mol |
| SMILES | C=12C(=NCSC2=CC(=C(C1)OC)OC)C=1C(C)=CC=CC1 |