| SpectraBase Compound ID | HYYguWrdcGo |
|---|---|
| InChI | InChI=1S/C35H32Cl3N3O7/c1-19(2)15-28-29(42)40-27-14-8-7-13-25(27)34(16-26(30(43)48-34)39-32(44)47-18-35(36,37)38)31(40)41(28)33(45)46-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h3-14,19,24,26,28,31H,15-18H2,1-2H3,(H,39,44)/t26-,28+,31+,34-/m1/s1 |
| InChIKey | SDZNIQIYTIEHEQ-LVEDQZAISA-N |
| Mol Weight | 713.0 g/mol |
| Molecular Formula | C35H32Cl3N3O7 |
| Exact Mass | 711.130583 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1prg5gYqtWx |
|---|---|
| Name | MAJOR-ROTAMER |
| Compound Number | 66B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H32Cl3N3O7 |
| InChI | InChI=1S/C35H32Cl3N3O7/c1-19(2)15-28-29(42)40-27-14-8-7-13-25(27)34(16-26(30(43)48-34)39-32(44)47-18-35(36,37)38)31(40)41(28)33(45)46-17-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h3-14,19,24,26,28,31H,15-18H2,1-2H3,(H,39,44)/t26-,28+,31+,34-/m1/s1 |
| InChIKey | SDZNIQIYTIEHEQ-LVEDQZAISA-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 | 713.014 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25444 |