| SpectraBase Spectrum ID |
4E11Vs47lS9 |
| Name |
Pimelic acid, isobutyl 2,4,4-trimethylpentyl 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/c1-15(2)13-22-17(20)10-8-7-9-11-18(21)23-14-16(3)12-19(4,5)6/h15-16H,7-14H2,1-6H3 |
| InChIKey |
OVBWKELKIXZZGN-UHFFFAOYSA-N |
| Molecular Weight |
328.493 g/mol |
| SMILES |
C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974679 |
