SpectraBase Spectrum ID |
FDX1IgWp2Th |
Name |
Pentanedioic acid, 2,2-diethoxy-4-methyl-, diethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
290.172938551 u |
Formula |
C14H26O6 |
InChI |
InChI=1S/C14H26O6/c1-6-17-12(15)11(5)10-14(19-8-3,20-9-4)13(16)18-7-2/h11H,6-10H2,1-5H3 |
InChIKey |
YXJRTOUYCKDQQT-UHFFFAOYSA-N |
SMILES |
C(C(=O)OCC)(CC(C(=O)OCC)C)(OCC)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978551 |