| SpectraBase Spectrum ID |
LbEXPxVu2hy |
| Name |
(ra*,1'S*)-N,N-di(4-Heptyl)-2-(1'-hydroxypentyl)-1-naphthamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.360679755 u |
| Formula |
C30H47NO2 |
| InChI |
InChI=1S/C30H47NO2/c1-6-11-20-28(32)27-22-21-23-18-12-13-19-26(23)29(27)30(33)31(24(14-7-2)15-8-3)25(16-9-4)17-10-5/h12-13,18-19,21-22,24-25,28,32H,6-11,14-17,20H2,1-5H3/t28-/m0/s1 |
| InChIKey |
HFOXCSXNSYRIKK-NDEPHWFRSA-N |
| Molecular Weight |
453.711 g/mol |
| SMILES |
C(C1=C(C=CC=2C1=CC=CC2)[C@@](O)(CCCC)[H])(N(C(CCC)CCC)C(CCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92964 |
