| SpectraBase Compound ID | 8E4Go3ycTpX |
|---|---|
| InChI | InChI=1S/C16H13N3O4S/c17-13-7-6-10-8-12(24(21,22)23)9-14(20)15(10)16(13)19-18-11-4-2-1-3-5-11/h1-9,20H,17H2,(H,21,22,23)/b19-18+ |
| InChIKey | AQNYJBKPOPUIHV-VHEBQXMUSA-N |
| Mol Weight | 343.36 g/mol |
| Molecular Formula | C16H13N3O4S |
| Exact Mass | 343.062677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3WKLCXOcWzO |
|---|---|
| Name | 6-Amino-4-hydroxy-5-(phenylazo)-2-naphthalenesulfonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 343.062677081 u |
| Formula | C16H13N3O4S |
| InChI | InChI=1S/C16H13N3O4S/c17-13-7-6-10-8-12(24(21,22)23)9-14(20)15(10)16(13)19-18-11-4-2-1-3-5-11/h1-9,20H,17H2,(H,21,22,23)/b19-18+ |
| InChIKey | AQNYJBKPOPUIHV-VHEBQXMUSA-N |
| SMILES | OC=1C=2C(=C(C=CC2C=C(S(=O)(=O)O)C1)N)\N=N\C=1C=CC=CC1 |