| SpectraBase Spectrum ID |
1YpTioTLE8K |
| Name |
1H-Inden-1-one, 3A,7A-dihydro-2,4,6,7A-tetrapentyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.370516165 u |
| Formula |
C29H48O |
| InChI |
InChI=1S/C29H48O/c1-5-9-13-17-24-21-25(18-14-10-6-2)27-22-26(19-15-11-7-3)28(30)29(27,23-24)20-16-12-8-4/h21-23,27H,5-20H2,1-4H3 |
| InChIKey |
HHZNVZFDEAMJFH-UHFFFAOYSA-N |
| Molecular Weight |
412.702 g/mol |
| SMILES |
C12(C(C=C(C2=O)CCCCC)C(CCCCC)=CC(=C1)CCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830249 |
