| SpectraBase Compound ID | 1oru4fmvKX7 |
|---|---|
| InChI | InChI=1S/C23H25N9O13S4.4Na/c24-15-3-1-12-9-14(48(40,41)42)11-17(33)19(12)20(15)32-31-16-4-2-13(10-18(16)49(43,44)45)27-23-29-21(25-5-7-46(34,35)36)28-22(30-23)26-6-8-47(37,38)39;;;;/h1-4,9-11,33H,5-8,24H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29,30);;;;/q;4*+1/p-4/b32-31+;;;; |
| InChIKey | VVCUSKBELSLODF-JKDBTGEISA-J |
| Mol Weight | 851.7 g/mol |
| Molecular Formula | C23H21N9Na4O13S4 |
| Exact Mass | 850.973244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 931PGXx2k6k |
|---|---|
| Name | VVCUSKBELSLODF-JKDBTGEISA-J |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H21N9Na4O13S4 |
| InChI | InChI=1S/C23H25N9O13S4.4Na/c24-15-3-1-12-9-14(48(40,41)42)11-17(33)19(12)20(15)32-31-16-4-2-13(10-18(16)49(43,44)45)27-23-29-21(25-5-7-46(34,35)36)28-22(30-23)26-6-8-47(37,38)39;;;;/h1-4,9-11,33H,5-8,24H2,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H3,25,26,27,28,29,30);;;;/q;4*+1/p-4/b32-31+;;;; |
| InChIKey | VVCUSKBELSLODF-JKDBTGEISA-J |
| Literature Reference Author | H.E.BIRKETT,R.K.HARRIS,P.HODGKINSON,K.CARR,M.H.CHARLTON,J.C. CHERRYMAN,A.M.CHIPPE |
| Literature Reference Citation | MAGN.RES.CHEM.,38,504(2000) |
| Literature Reference DOI | 10.1002/1097-458x(200007)38:7<504::aid-mrc710>3.0.co;2-7 |
| Molecular Weight | 851.671 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI3349 |