| SpectraBase Compound ID | K1t8ynoOu4M |
|---|---|
| InChI | InChI=1S/C28H28Cl3N3O7/c1-16(2)12-21-22(35)33-20-11-7-6-10-18(20)27(13-19(23(36)41-27)32-25(37)40-15-28(29,30)31)24(33)34(21)26(38)39-14-17-8-4-3-5-9-17/h3-11,16,19,21,24H,12-15H2,1-2H3,(H,32,37)/t19-,21+,24+,27-/m1/s1 |
| InChIKey | WVXNOZMNULTIKP-VXBXARCUSA-N |
| Mol Weight | 624.91 g/mol |
| Molecular Formula | C28H28Cl3N3O7 |
| Exact Mass | 623.099283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgXHQ3babPC |
|---|---|
| Name | MINOR-ROTAMER |
| Compound Number | 43B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H28Cl3N3O7 |
| InChI | InChI=1S/C28H28Cl3N3O7/c1-16(2)12-21-22(35)33-20-11-7-6-10-18(20)27(13-19(23(36)41-27)32-25(37)40-15-28(29,30)31)24(33)34(21)26(38)39-14-17-8-4-3-5-9-17/h3-11,16,19,21,24H,12-15H2,1-2H3,(H,32,37)/t19-,21+,24+,27-/m1/s1 |
| InChIKey | WVXNOZMNULTIKP-VXBXARCUSA-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 | 624.905 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25426 |