| SpectraBase Spectrum ID |
EdefesVoBLo |
| Name |
Dimethyl ester of 2-propylnonanedioic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.183109313 u |
| Formula |
C14H26O4 |
| InChI |
InChI=1S/C14H26O4/c1-4-9-12(14(16)18-3)10-7-5-6-8-11-13(15)17-2/h12H,4-11H2,1-3H3 |
| InChIKey |
PMLWGYJEWAWHSQ-UHFFFAOYSA-N |
| Molecular Weight |
258.358 g/mol |
| SMILES |
C(=O)(C(CCC)CCCCCCC(=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924872 |
