| SpectraBase Spectrum ID |
GGWMtjLQIdt |
| Name |
Pimelic acid, butyl 2-ethylhexyl 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/c1-4-7-12-17(6-3)16-23-19(21)14-11-9-10-13-18(20)22-15-8-5-2/h17H,4-16H2,1-3H3 |
| InChIKey |
SKUQCVCMDTWQPO-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OCC(CC)CCCC)(=O)CCCCCC(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.834164 |
