| SpectraBase Compound ID | HT0B1X4wztY |
|---|---|
| InChI | InChI=1S/C40H64N6O4/c1-29(2)35(41)39(49)45-33(27-31-21-15-13-16-22-31)37(47)43-25-19-11-9-7-5-6-8-10-12-20-26-44-38(48)34(28-32-23-17-14-18-24-32)46-40(50)36(42)30(3)4/h13-18,21-24,29-30,33-36H,5-12,19-20,25-28,41-42H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/t33-,34+,35+,36- |
| InChIKey | XJRRNJDEJYHXEO-IYMPVJEUSA-N |
| Mol Weight | 693.0 g/mol |
| Molecular Formula | C40H64N6O4 |
| Exact Mass | 692.498905 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7SkS2QSvsEj |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-PHE-L-VAL) |
| Compound Number | 8C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C40H64N6O4 |
| InChI | InChI=1S/C40H64N6O4/c1-29(2)35(41)39(49)45-33(27-31-21-15-13-16-22-31)37(47)43-25-19-11-9-7-5-6-8-10-12-20-26-44-38(48)34(28-32-23-17-14-18-24-32)46-40(50)36(42)30(3)4/h13-18,21-24,29-30,33-36H,5-12,19-20,25-28,41-42H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/t33-,34+,35+,36- |
| InChIKey | XJRRNJDEJYHXEO-IYMPVJEUSA-N |
| Literature Reference Author | S.KOBAYASHI,H.KOBAYASHI,T.YAMAGUCHI,M.NISHIDA,K.YAMAGUCHI,M. KURIHARA,N.MIYATA,A. |
| Literature Reference Citation | CHEM.PHARM.BULL.,48,920(2000) |
| Literature Reference DOI | 10.1248/cpb.48.920 |
| Molecular Weight | 692.986 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWVN4306 |