| SpectraBase Spectrum ID |
CxrDXoB4EtP |
| Name |
3-Hexyl-2,5-dipentylpentanedial |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-4-7-10-13-14-19(17-21(23)16-12-9-6-3)20(18-22)15-11-8-5-2/h18-20H,4-17H2,1-3H3 |
| InChIKey |
FGGZBTMVRBWDIN-UHFFFAOYSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C(C(C(CC(=O)CCCCC)CCCCCC)CCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911438 |
