![(4R)-[(N-TERT.-BUTOXYCARBONYL)-3-METHYLINDOLYL]-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT](/api/spectrum/CTmcAkWyVXa/structure.png?h=300&w=458 "(4R)-[(N-TERT.-BUTOXYCARBONYL)-3-METHYLINDOLYL]-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT")
| SpectraBase Compound ID | IWtJlrTAfHZ |
|---|---|
| InChI | InChI=1S/C21H34N4O2.3C2HF3O2/c1-5-24-17(14-23-12-8-11-22)13-16-15-25(20(26)27-21(2,3)4)19-10-7-6-9-18(16)19;3*3-2(4,5)1(6)7/h6-7,9-10,15,17,23-24H,5,8,11-14,22H2,1-4H3;3*(H,6,7)/t17-;;;/m0.../s1 |
| InChIKey | WRYAHPRZRVZKAY-FCQHKQNSSA-N |
| Mol Weight | 716.599 g/mol |
| Molecular Formula | C27H37F9N4O8 |
| Exact Mass | 716.246768 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CTmcAkWyVXa |
|---|---|
| Name | (4R)-[(N-TERT.-BUTOXYCARBONYL)-3-METHYLINDOLYL]-9-AMINO-3,6-DIAZANONANE-TRIS-(TRIFLUOROACETATIC-ACID)-SALT |
| Compound Number | 8J |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H37F9N4O8 |
| InChI | InChI=1S/C21H34N4O2.3C2HF3O2/c1-5-24-17(14-23-12-8-11-22)13-16-15-25(20(26)27-21(2,3)4)19-10-7-6-9-18(16)19;3*3-2(4,5)1(6)7/h6-7,9-10,15,17,23-24H,5,8,11-14,22H2,1-4H3;3*(H,6,7)/t17-;;;/m0.../s1 |
| InChIKey | WRYAHPRZRVZKAY-FCQHKQNSSA-N |
| Literature Reference Author | S.MANKU,C.LAPLANTE,D.KOPAC,T.CHAN,D.G.HALL |
| Literature Reference Citation | J.ORG.CHEM.,66,874(2001) |
| Literature Reference DOI | 10.1021/jo005647g |
| Molecular Weight | 716.598 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN26153 |