| SpectraBase Spectrum ID |
DfDjkPBMSZ |
| Name |
Octanedioic acid, 4-isopropyl-, dimethyl 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/c1-10(2)11(8-9-13(15)17-4)6-5-7-12(14)16-3/h10-11H,5-9H2,1-4H3 |
| InChIKey |
DJAWFTXIFMKLIO-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
C(=O)(OC)CCC(CCCC(OC)=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828834 |
