| SpectraBase Spectrum ID |
E3QJIn25JnD |
| Name |
Diethylmalonic acid, butyl 5-methylhex-2-yl 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/c1-7-10-13-21-16(19)18(8-2,9-3)17(20)22-15(6)12-11-14(4)5/h14-15H,7-13H2,1-6H3 |
| InChIKey |
UUQSPOPAGQWLLI-UHFFFAOYSA-N |
| SMILES |
CC(CCC(OC(C(C(OCCCC)=O)(CC)CC)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959112 |
