| SpectraBase Compound ID | 6FIwhHg6bJP |
|---|---|
| InChI | InChI=1S/C13H10N2O4S/c14-9-3-1-2-4-11(9)20-12-6-5-8(13(16)17)7-10(12)15(18)19/h1-7H,14H2,(H,16,17) |
| InChIKey | XRMHLBCVMYFAJW-UHFFFAOYSA-N |
| Mol Weight | 290.29 g/mol |
| Molecular Formula | C13H10N2O4S |
| Exact Mass | 290.036128 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L4KjPsn5HAT |
|---|---|
| Name | 2-Amino-4'-carboxy-2'-nitrodiphenylsulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.036127980 u |
| Formula | C13H10N2O4S |
| InChI | InChI=1S/C13H10N2O4S/c14-9-3-1-2-4-11(9)20-12-6-5-8(13(16)17)7-10(12)15(18)19/h1-7H,14H2,(H,16,17) |
| InChIKey | XRMHLBCVMYFAJW-UHFFFAOYSA-N |
| SMILES | C1=CC(C(=O)O)=CC(=C1SC1=C(C=CC=C1)N)N(=O)=O |