| SpectraBase Compound ID | DP6p3pNHB24 |
|---|---|
| InChI | InChI=1S/C9H7N3O4S/c1-16-9(13)11-8-10-6-3-2-5(12(14)15)4-7(6)17-8/h2-4H,1H3,(H,10,11,13) |
| InChIKey | RAPHVMRKTITFGV-UHFFFAOYSA-N |
| Mol Weight | 253.23 g/mol |
| Molecular Formula | C9H7N3O4S |
| Exact Mass | 253.015727 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FgHtHStuJZv |
|---|---|
| Name | (6-Nitrobenzothiazol-2-yl)carbamic acid,methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.015726887 u |
| Formula | C9H7N3O4S |
| InChI | InChI=1S/C9H7N3O4S/c1-16-9(13)11-8-10-6-3-2-5(12(14)15)4-7(6)17-8/h2-4H,1H3,(H,10,11,13) |
| InChIKey | RAPHVMRKTITFGV-UHFFFAOYSA-N |
| Molecular Weight | 253.232 g/mol |
| SMILES | C1(=CC2=C(C=C1)N=C(S2)NC(=O)OC)N(=O)=O |