| SpectraBase Compound ID | 54003sRo7Lr |
|---|---|
| InChI | InChI=1S/C36H72N6O4/c1-9-25(5)29(37)33(43)41-31(27(7)11-3)35(45)39-23-21-19-17-15-13-14-16-18-20-22-24-40-36(46)32(28(8)12-4)42-34(44)30(38)26(6)10-2/h25-32H,9-24,37-38H2,1-8H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)/t25?,26?,27?,28?,29-,30-,31+,32+/m0/s1 |
| InChIKey | DJRQDXZMCIHRKD-IEXHVOLBSA-N |
| Mol Weight | 653.0 g/mol |
| Molecular Formula | C36H72N6O4 |
| Exact Mass | 652.561505 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GxXvpedP7Tx |
|---|---|
| Name | 1,12-DODECANO-BIS-(L-ILE-L-ILE) |
| Compound Number | 8B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H72N6O4 |
| InChI | InChI=1S/C36H72N6O4/c1-9-25(5)29(37)33(43)41-31(27(7)11-3)35(45)39-23-21-19-17-15-13-14-16-18-20-22-24-40-36(46)32(28(8)12-4)42-34(44)30(38)26(6)10-2/h25-32H,9-24,37-38H2,1-8H3,(H,39,45)(H,40,46)(H,41,43)(H,42,44)/t25?,26?,27?,28?,29-,30-,31+,32+/m0/s1 |
| InChIKey | DJRQDXZMCIHRKD-IEXHVOLBSA-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 | 653.005 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN4305 |