| SpectraBase Spectrum ID |
6fDJGIKj0AG |
| Name |
(R,R)-3,6-Diethyl-4(R),5(R)-di-[1(S)-phenylethylamino]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.350449425 u |
| Formula |
C28H44N2 |
| InChI |
InChI=1S/C28H44N2/c1-7-23(8-2)27(29-21(5)25-17-13-11-14-18-25)28(24(9-3)10-4)30-22(6)26-19-15-12-16-20-26/h11-24,27-30H,7-10H2,1-6H3/t21-,22-,27+,28+/m0/s1 |
| InChIKey |
ZIJWBIDADPPCTC-SHRQFBHGSA-N |
| Molecular Weight |
408.674 g/mol |
| SMILES |
[C@@](N[C@](C=1C=CC=CC1)(C)[H])([C@](N[C@](C=1C=CC=CC1)(C)[H])(C(CC)CC)[H])(C(CC)CC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913617 |
![(R,R)-3,6-Diethyl-4(R),5(R)-di-[1(S)-phenylethylamino]octane](/api/spectrum/6fDJGIKj0AG/structure.png?h=300&w=458 "(R,R)-3,6-Diethyl-4(R),5(R)-di-[1(S)-phenylethylamino]octane")
