| SpectraBase Compound ID | CDUNpNr5omL |
|---|---|
| InChI | InChI=1S/C15H14N2O6S/c1-16(12-5-3-11(4-6-12)15(18)23-2)24(21,22)14-9-7-13(8-10-14)17(19)20/h3-10H,1-2H3 |
| InChIKey | OPRYKSSPCFMBEE-UHFFFAOYSA-N |
| Mol Weight | 350.35 g/mol |
| Molecular Formula | C15H14N2O6S |
| Exact Mass | 350.057257 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Afx7ZtJWSNp |
|---|---|
| Name | Methyl N-nosyl-N-methyl-p-aminobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.057257347 u |
| Formula | C15H14N2O6S |
| InChI | InChI=1S/C15H14N2O6S/c1-16(12-5-3-11(4-6-12)15(18)23-2)24(21,22)14-9-7-13(8-10-14)17(19)20/h3-10H,1-2H3 |
| InChIKey | OPRYKSSPCFMBEE-UHFFFAOYSA-N |
| Molecular Weight | 350.345 g/mol |
| SMILES | C=1(N(S(C2=CC=C(N(=O)=O)C=C2)(=O)=O)C)C=CC(C(=O)OC)=CC1 |