| SpectraBase Compound ID | 96eMqSCUOZP |
|---|---|
| InChI | InChI=1S/C20H23ClN4O7/c1-9(16(28)23-12(7-26)18(29)30)22-19(31)20(2)8-32-17(24-20)11-6-25(3)13-4-10(21)5-14(27)15(11)13/h4-6,9,12,26-27H,7-8H2,1-3H3,(H,22,31)(H,23,28)(H,29,30)/t9-,12+,20-/m1/s1 |
| InChIKey | NKNDHRJPCHKCQG-GNGCRJPWSA-N |
| Mol Weight | 466.88 g/mol |
| Molecular Formula | C20H23ClN4O7 |
| Exact Mass | 466.125527 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTkutglzvE |
|---|---|
| Name | JBIR-35 |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H23ClN4O7 |
| InChI | InChI=1S/C20H23ClN4O7/c1-9(16(28)23-12(7-26)18(29)30)22-19(31)20(2)8-32-17(24-20)11-6-25(3)13-4-10(21)5-14(27)15(11)13/h4-6,9,12,26-27H,7-8H2,1-3H3,(H,22,31)(H,23,28)(H,29,30)/t9-,12+,20-/m1/s1 |
| InChIKey | NKNDHRJPCHKCQG-GNGCRJPWSA-N |
| Literature Reference Author | K.MOTOHASHI,M.TAKAGI,K.SHIN-YA |
| Literature Reference Citation | J.NAT.PROD.,73,226(2010) |
| Literature Reference DOI | 10.1021/np900810r |
| Molecular Weight | 466.878 g/mol |
| Sample ID | 34477 |
| Solvent | DMSO-D6 |