| SpectraBase Spectrum ID |
Lqfh7Hkv1uM |
| Name |
Pimelic acid, 2-ethylbutyl 4-methyl-2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.261359635 u |
| Formula |
C19H36O4 |
| InChI |
InChI=1S/C19H36O4/c1-6-17(7-2)14-22-18(20)11-9-8-10-12-19(21)23-16(5)13-15(3)4/h15-17H,6-14H2,1-5H3 |
| InChIKey |
JVMOUAXHMRYOII-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OCC(CC)CC)(=O)CCCCCC(OC(CC(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877876 |
