| SpectraBase Spectrum ID |
4P0uwRCT6bY |
| Name |
(p)-N,N-Dihexyl-8-methoxycarbonyl-1,12-dimethylbenzo[C]phenanthrene-5,8-diamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
525.324294246 u |
| Formula |
C35H43NO3 |
| InChI |
InChI=1S/C35H43NO3/c1-6-8-10-12-20-36(21-13-11-9-7-2)34(37)29-22-26-23-30(35(38)39-5)28-19-15-17-25(4)32(28)33(26)31-24(3)16-14-18-27(29)31/h14-19,22-23H,6-13,20-21H2,1-5H3 |
| InChIKey |
BHQMYZFIZKONNH-UHFFFAOYSA-N |
| Molecular Weight |
525.733 g/mol |
| SMILES |
C=1(C=2C(=C(C)C=CC2)C=2C(C1)=CC(=C1C=CC=C(C21)C)C(=O)OC)C(N(CCCCCC)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850174 |
![(p)-N,N-Dihexyl-8-methoxycarbonyl-1,12-dimethylbenzo[c]phenanthrene-5,8-diamide](/api/spectrum/4P0uwRCT6bY/structure.png?h=300&w=458 "(p)-N,N-Dihexyl-8-methoxycarbonyl-1,12-dimethylbenzo[c]phenanthrene-5,8-diamide")
