| SpectraBase Spectrum ID |
EWpJThUjtE9 |
| Name |
10-Acetoxy-1-(5-tert-butyl-2-oxocyclohexylmethyl)decanal |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-18(24)27-15-11-9-7-5-6-8-10-12-21(25)17-19-16-20(23(2,3)4)13-14-22(19)26/h19-20H,5-17H2,1-4H3 |
| InChIKey |
XJEYQOMLDXDQRC-UHFFFAOYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C1(C(CCC(C1)C(C)(C)C)=O)CC(=O)CCCCCCCCCOC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842203 |
