| SpectraBase Compound ID | 6znWucwFQl7 |
|---|---|
| InChI | InChI=1S/C12H13NO6S2/c13-11-4-1-8-7-9(20(15,16)6-5-14)2-3-10(8)12(11)21(17,18)19/h1-4,7,14H,5-6,13H2,(H,17,18,19) |
| InChIKey | JXDTUKXBYBYRFR-UHFFFAOYSA-N |
| Mol Weight | 331.36 g/mol |
| Molecular Formula | C12H13NO6S2 |
| Exact Mass | 331.018429 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4hLXegYEf39 |
|---|---|
| Name | JXDTUKXBYBYRFR-UHFFFAOYSA-N |
| Compound Number | 289 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C12H13NO6S2 |
| InChI | InChI=1S/C12H13NO6S2/c13-11-4-1-8-7-9(20(15,16)6-5-14)2-3-10(8)12(11)21(17,18)19/h1-4,7,14H,5-6,13H2,(H,17,18,19) |
| InChIKey | JXDTUKXBYBYRFR-UHFFFAOYSA-N |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 331.358 g/mol |
| Sample ID | 415 |
| Solvent | DMSO-D6 |