| SpectraBase Spectrum ID |
1XklPSEzLjT |
| Name |
Propanedioic acid, (1-methylethyl)propyl-, diethyl 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/c1-6-9-13(10(4)5,11(14)16-7-2)12(15)17-8-3/h10H,6-9H2,1-5H3 |
| InChIKey |
OFOXHBRNNXYCMV-UHFFFAOYSA-N |
| Molecular Weight |
244.331 g/mol |
| SMILES |
CC(C)C(CCC)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883776 |
