| SpectraBase Spectrum ID |
AahsWuA52CE |
| Name |
Pimelic acid, pentyl 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 |
342.277009700 u |
| Formula |
C20H38O4 |
| InChI |
InChI=1S/C20H38O4/c1-6-7-11-14-23-18(21)12-9-8-10-13-19(22)24-16-17(2)15-20(3,4)5/h17H,6-16H2,1-5H3 |
| InChIKey |
AWIPBIIGJIJJOQ-UHFFFAOYSA-N |
| Molecular Weight |
342.520 g/mol |
| SMILES |
C(OCC(C)CC(C)(C)C)(=O)CCCCCC(OCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86597 |
