| SpectraBase Spectrum ID |
31aiR7JmFIc |
| Name |
Incasine C |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
474.299476478 u |
| Formula |
C29H38N4O2 |
| InChI |
InChI=1S/C29H38N4O2/c34-28-23-27(26-13-5-2-6-14-26)33(29(35)16-15-25-11-3-1-4-12-25)22-10-21-32-19-8-7-18-31(24-32)20-9-17-30-28/h1-6,11-16,27H,7-10,17-24H2,(H,30,34)/b16-15-/t27-/m0/s1 |
| InChIKey |
UEWPALSQURVUTB-VJHGBBPISA-N |
| Molecular Weight |
474.649 g/mol |
| SMILES |
[C@]1(N(CCCN2CN(CCCNC(C1)=O)CCCC2)C(\C=C/C1=CC=CC=C1)=O)(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.840085 |