| SpectraBase Spectrum ID |
4Koue06AyPX |
| Name |
1,5-Dimethyl-2-isopentylhexyl tetradecanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.412380977 u |
| Formula |
C27H54O2 |
| InChI |
InChI=1S/C27H54O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-27(28)29-25(6)26(21-19-23(2)3)22-20-24(4)5/h23-26H,7-22H2,1-6H3 |
| InChIKey |
JHAGSLRTFDBCLA-UHFFFAOYSA-N |
| Molecular Weight |
410.727 g/mol |
| SMILES |
C(CCCCCCCCCCCCC)(=O)OC(C(CCC(C)C)CCC(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91739 |
