| SpectraBase Compound ID | IAVNo8U9acF |
|---|---|
| InChI | InChI=1S/C17H15N3O8S2.2Na/c1-28-11-3-5-13(14(8-11)29(22,23)24)19-20-16-15(30(25,26)27)7-9-6-10(18)2-4-12(9)17(16)21;;/h2-8,21H,18H2,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | OIPQCNYTGDVGAN-LLIZZRELSA-L |
| Mol Weight | 497.40353856 g/mol |
| Molecular Formula | C17H13N3Na2O8S2 |
| Exact Mass | 496.993945 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2PkyJBlJZFS |
|---|---|
| Name | OIPQCNYTGDVGAN-LLIZZRELSA-L |
| Compound Number | 525 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H13N3Na2O8S2 |
| InChI | InChI=1S/C17H15N3O8S2.2Na/c1-28-11-3-5-13(14(8-11)29(22,23)24)19-20-16-15(30(25,26)27)7-9-6-10(18)2-4-12(9)17(16)21;;/h2-8,21H,18H2,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b20-19+;; |
| InChIKey | OIPQCNYTGDVGAN-LLIZZRELSA-L |
| Literature Reference Author | W.ROBIEN |
| Literature Reference Citation | W.ROBIEN,PRIVATE_COMMUNICATION |
| Molecular Weight | 497.405 g/mol |
| Sample ID | 429 |
| Solvent | DMSO-D6 |