| SpectraBase Spectrum ID |
IeSvZwJq2GT |
| Name |
3,4-Dihexyldec-3-en-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.323565971 u |
| Formula |
C22H42O |
| InChI |
InChI=1S/C22H42O/c1-5-8-11-14-17-21(18-15-12-9-6-2)22(20(4)23)19-16-13-10-7-3/h5-19H2,1-4H3 |
| InChIKey |
PTAOYOLOKZYPIN-UHFFFAOYSA-N |
| Molecular Weight |
322.577 g/mol |
| SMILES |
CC(C(=C(CCCCCC)CCCCCC)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839869 |
