| SpectraBase Compound ID | KxrMJWqaPbX |
|---|---|
| InChI | InChI=1S/C26H26Cl3N3O7/c1-16(30-24(35)38-14-17-8-4-3-5-9-17)22(33)32-13-18(19-10-6-7-11-21(19)32)12-20(23(34)37-2)31-25(36)39-15-26(27,28)29/h3-11,13,16,20H,12,14-15H2,1-2H3,(H,30,35)(H,31,36)/t16-,20+/m0/s1 |
| InChIKey | CWGUZXXQTZRMQY-OXJNMPFZSA-N |
| Mol Weight | 598.87 g/mol |
| Molecular Formula | C26H26Cl3N3O7 |
| Exact Mass | 597.083633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KQiYFTQYf4r |
|---|---|
| Name | N-(IN)-L-CARBAMOZEPIN-ALANYL-N-(ALPHA)-2,2,2-TRICHLOROETHOXYCARBONYL-D-TRYPTOPHAN-METHYLESTER |
| Compound Number | 28 A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H26Cl3N3O7 |
| InChI | InChI=1S/C26H26Cl3N3O7/c1-16(30-24(35)38-14-17-8-4-3-5-9-17)22(33)32-13-18(19-10-6-7-11-21(19)32)12-20(23(34)37-2)31-25(36)39-15-26(27,28)29/h3-11,13,16,20H,12,14-15H2,1-2H3,(H,30,35)(H,31,36)/t16-,20+/m0/s1 |
| InChIKey | CWGUZXXQTZRMQY-OXJNMPFZSA-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 | 598.867 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN25399 |