| SpectraBase Compound ID | DantGvkKRLy |
|---|---|
| InChI | InChI=1S/C29H32Cl3N3O8/c1-17(2)13-22-23(36)34-21-12-8-7-11-19(21)28(40,14-20(24(37)41-3)33-26(38)43-16-29(30,31)32)25(34)35(22)27(39)42-15-18-9-5-4-6-10-18/h4-12,17,20,22,25,40H,13-16H2,1-3H3,(H,33,38)/t20-,22-,25-,28+/m0/s1 |
| InChIKey | ZVBWKTFRJXWYEW-DVUKNSKVSA-N |
| Mol Weight | 656.9 g/mol |
| Molecular Formula | C29H32Cl3N3O8 |
| Exact Mass | 655.125498 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYglTWS34La |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | 41B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H32Cl3N3O8 |
| InChI | InChI=1S/C29H32Cl3N3O8/c1-17(2)13-22-23(36)34-21-12-8-7-11-19(21)28(40,14-20(24(37)41-3)33-26(38)43-16-29(30,31)32)25(34)35(22)27(39)42-15-18-9-5-4-6-10-18/h4-12,17,20,22,25,40H,13-16H2,1-3H3,(H,33,38)/t20-,22-,25-,28+/m0/s1 |
| InChIKey | ZVBWKTFRJXWYEW-DVUKNSKVSA-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 | 656.947 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25423 |