| SpectraBase Spectrum ID |
GxmH4cXA60J |
| Name |
Diethylmalonic acid, 3-methylpentyl 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/c1-6-10-11-13-21-16(19)18(8-3,9-4)17(20)22-14-12-15(5)7-2/h15H,6-14H2,1-5H3 |
| InChIKey |
RNVADPKZLUWMKO-UHFFFAOYSA-N |
| SMILES |
C(C(OCCCCC)=O)(C(OCCC(CC)C)=O)(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899444 |
