| SpectraBase Spectrum ID |
6USeMAUNS9l |
| Name |
Diethylmalonic acid, hept-4-yl isobutyl 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/c1-7-11-15(12-8-2)22-17(20)18(9-3,10-4)16(19)21-13-14(5)6/h14-15H,7-13H2,1-6H3 |
| InChIKey |
WNYHXSKLBUERJL-UHFFFAOYSA-N |
| SMILES |
CCC(C(OCC(C)C)=O)(C(OC(CCC)CCC)=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96163 |
