SpectraBase Spectrum ID |
3f7iEl0Bmee |
Name |
Pentanedioic acid, bis(1-methylpropyl) ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
244.167459249 u |
Formula |
C13H24O4 |
InChI |
InChI=1S/C13H24O4/c1-5-10(3)16-12(14)8-7-9-13(15)17-11(4)6-2/h10-11H,5-9H2,1-4H3 |
InChIKey |
AMDIGSIYWJDTQZ-UHFFFAOYSA-N |
Molecular Weight |
244.331 g/mol |
SMILES |
C(OC(CC)C)(CCCC(OC(CC)C)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964434 |