| SpectraBase Spectrum ID |
4l8U3nASmun |
| Name |
Diethylmalonic acid, 3-methylpent-2-yl pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.245709571 u |
| Formula |
C18H34O4 |
| InChI |
InChI=1S/C18H34O4/c1-7-11-12-13-21-16(19)18(9-3,10-4)17(20)22-15(6)14(5)8-2/h14-15H,7-13H2,1-6H3 |
| InChIKey |
PQJAJFVMCVUCDN-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCCCCC)=O)(C(OC(C(CC)C)C)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943763 |
