| SpectraBase Compound ID | 5DYvNa73TaH |
|---|---|
| InChI | InChI=1S/C17H17NO2S/c19-21(20,14-12-15-7-2-1-3-8-15)18-13-6-10-16-9-4-5-11-17(16)18/h1-5,7-9,11-12,14H,6,10,13H2/b14-12+ |
| InChIKey | NYUDGCUWVWFNIW-WYMLVPIESA-N |
| Mol Weight | 299.39 g/mol |
| Molecular Formula | C17H17NO2S |
| Exact Mass | 299.098 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bsrv0y6vYse |
|---|---|
| Name | 2,3'-Biphenyldicarboxylic acid, dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.097999963 u |
| Formula | C17H17NO2S |
| InChI | InChI=1S/C17H17NO2S/c19-21(20,14-12-15-7-2-1-3-8-15)18-13-6-10-16-9-4-5-11-17(16)18/h1-5,7-9,11-12,14H,6,10,13H2/b14-12+ |
| InChIKey | NYUDGCUWVWFNIW-WYMLVPIESA-N |
| Molecular Weight | 299.388 g/mol |
| SMILES | C1=CC=C2C(=C1)CCCN2S(\C=C\C1=CC=CC=C1)(=O)=O |