| SpectraBase Compound ID | LEYb1vWsb0h |
|---|---|
| InChI | InChI=1S/C14H10N2O6S/c1-22-14(17)10-4-2-3-5-12(10)23-13-7-6-9(15(18)19)8-11(13)16(20)21/h2-8H,1H3 |
| InChIKey | DBXRYSZCLCCBHH-UHFFFAOYSA-N |
| Mol Weight | 334.3 g/mol |
| Molecular Formula | C14H10N2O6S |
| Exact Mass | 334.025957 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4sWEFXVMlhJ |
|---|---|
| Name | Benzoic acid, 2-(2,4-dinitrophenylthio)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.025957218 u |
| Formula | C14H10N2O6S |
| InChI | InChI=1S/C14H10N2O6S/c1-22-14(17)10-4-2-3-5-12(10)23-13-7-6-9(15(18)19)8-11(13)16(20)21/h2-8H,1H3 |
| InChIKey | DBXRYSZCLCCBHH-UHFFFAOYSA-N |
| Molecular Weight | 334.302 g/mol |
| SMILES | C1(N(=O)=O)=CC(N(=O)=O)=CC=C1SC1=CC=CC=C1C(=O)OC |