| SpectraBase Compound ID | I5EsFcHjbn5 |
|---|---|
| InChI | InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m0/s1 |
| InChIKey | VKBROKVQWXRRIF-XTBOPFDJSA-N |
| Mol Weight | 358.26 g/mol |
| Molecular Formula | C13H14N2O10 |
| Exact Mass | 358.064845 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GDydVdgEDuj |
|---|---|
| Name | OCTOSYL-ACID-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C13H14N2O10 |
| InChI | InChI=1S/C13H14N2O10/c16-4-1-5(12(21)22)24-8-6(17)10(25-7(4)8)15-2-3(11(19)20)9(18)14-13(15)23/h2,4-8,10,16-17H,1H2,(H,19,20)(H,21,22)(H,14,18,23)/t4-,5+,6-,7-,8+,10-/m0/s1 |
| InChIKey | VKBROKVQWXRRIF-XTBOPFDJSA-N |
| Literature Reference Author | S.KNAPP,V.V.THAKUR,M.R.MADDURU,K.MALOLANARASIMHAN,G.J.MORRIE LLO,G.A.DOSS |
| Literature Reference Citation | ORG.LETTERS,8,1335(2006) |
| Literature Reference DOI | 10.1021/ol0600382 |
| Molecular Weight | 358.262 g/mol |
| Sample ID | 40046 |
| Solvent | DMSO-D6:H2O=17:1 |