| SpectraBase Compound ID | 8n9C7Kdzu8 |
|---|---|
| InChI | InChI=1S/C14H13N3O3S/c18-13(9-5-7-10(8-6-9)17(19)20)16-14-15-11-3-1-2-4-12(11)21-14/h5-8H,1-4H2,(H,15,16,18) |
| InChIKey | MDPHZYAKLZBEPL-UHFFFAOYSA-N |
| Mol Weight | 303.34 g/mol |
| Molecular Formula | C14H13N3O3S |
| Exact Mass | 303.067762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5vXNQ1lI1XW |
|---|---|
| Name | Benzamide, 4-nitro-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.067762462 u |
| Formula | C14H13N3O3S |
| InChI | InChI=1S/C14H13N3O3S/c18-13(9-5-7-10(8-6-9)17(19)20)16-14-15-11-3-1-2-4-12(11)21-14/h5-8H,1-4H2,(H,15,16,18) |
| InChIKey | MDPHZYAKLZBEPL-UHFFFAOYSA-N |
| SMILES | C(NC=1SC=2CCCCC2N1)(=O)C1=CC=C(C=C1)N(=O)=O |