| SpectraBase Compound ID | LBlqV18YCXN |
|---|---|
| InChI | InChI=1S/C17H15NO3S/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21) |
| InChIKey | FDXOYIGOUGEQBC-UHFFFAOYSA-N |
| Mol Weight | 313.37 g/mol |
| Molecular Formula | C17H15NO3S |
| Exact Mass | 313.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5LGc5I2FkBb |
|---|---|
| Name | 8-(p-Toluidino)-1-naphthalenesulfonic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.077264518 u |
| Formula | C17H15NO3S |
| InChI | InChI=1S/C17H15NO3S/c1-12-8-10-14(11-9-12)18-15-6-2-4-13-5-3-7-16(17(13)15)22(19,20)21/h2-11,18H,1H3,(H,19,20,21) |
| InChIKey | FDXOYIGOUGEQBC-UHFFFAOYSA-N |
| Molecular Weight | 313.371 g/mol |
| SMILES | N(C=1C=CC(C)=CC1)C=1C=2C(S(=O)(=O)O)=CC=CC2C=CC1 |