| SpectraBase Spectrum ID |
3vxJLWTvJio |
| Name |
syn-(ra*,2'R*)-N,N'-bis(4-Heptyl)-2-(2'-benzyl-3'-methylbutoyl)-1-naphthamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
541.391979884 u |
| Formula |
C37H51NO2 |
| InChI |
InChI=1S/C37H51NO2/c1-7-16-30(17-8-2)38(31(18-9-3)19-10-4)37(40)35-32-23-15-14-22-29(32)24-25-33(35)36(39)34(27(5)6)26-28-20-12-11-13-21-28/h11-15,20-25,27,30-31,34H,7-10,16-19,26H2,1-6H3/t34-/m1/s1 |
| InChIKey |
YEAUPFLQBDMMHB-UUWRZZSWSA-N |
| Molecular Weight |
541.820 g/mol |
| SMILES |
C(C1=C(C([C@](CC=2C=CC=CC2)(C(C)C)[H])=O)C=CC=2C1=CC=CC2)(N(C(CCC)CCC)C(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929715 |
