| SpectraBase Spectrum ID |
B0ZdrVjSosr |
| Name |
Pimelic acid, 4-methyl-2-pentyl 3-(2-methoxyethyl)heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.318874512 u |
| Formula |
C23H44O5 |
| InChI |
InChI=1S/C23H44O5/c1-6-7-11-21(14-16-26-5)15-17-27-22(24)12-9-8-10-13-23(25)28-20(4)18-19(2)3/h19-21H,6-18H2,1-5H3 |
| InChIKey |
FVVXGGIJIJXHGW-UHFFFAOYSA-N |
| Molecular Weight |
400.600 g/mol |
| SMILES |
C(OCCC(CCOC)CCCC)(=O)CCCCCC(OC(CC(C)C)C)=O |
