| SpectraBase Compound ID | FgOchYeUjo0 |
|---|---|
| InChI | InChI=1S/C25H22Cl3N3O7/c1-14-19(32)31-18-10-6-5-9-16(18)24(11-17(20(33)38-24)29-22(34)37-13-25(26,27)28)21(31)30(14)23(35)36-12-15-7-3-2-4-8-15/h2-10,14,17,21H,11-13H2,1H3,(H,29,34)/t14-,17+,21+,24+/m0/s1 |
| InChIKey | FNIWTHYRCLWSCU-MDQFKIDBSA-N |
| Mol Weight | 582.82 g/mol |
| Molecular Formula | C25H22Cl3N3O7 |
| Exact Mass | 581.052333 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 982wK4RIBFG |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | 43A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H22Cl3N3O7 |
| InChI | InChI=1S/C25H22Cl3N3O7/c1-14-19(32)31-18-10-6-5-9-16(18)24(11-17(20(33)38-24)29-22(34)37-13-25(26,27)28)21(31)30(14)23(35)36-12-15-7-3-2-4-8-15/h2-10,14,17,21H,11-13H2,1H3,(H,29,34)/t14-,17+,21+,24+/m0/s1 |
| InChIKey | FNIWTHYRCLWSCU-MDQFKIDBSA-N |
| Literature Reference Author | B.B.SNIDER,H.ZENG |
| Literature Reference Citation | J.ORG.CHEM.,68,545(2003) |
| Literature Reference DOI | 10.1021/jo0264980 |
| Molecular Weight | 582.825 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25407 |