| SpectraBase Spectrum ID |
8GaOkWORbF6 |
| Name |
Butanedioic acid, 2,3-dioctyl-, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
370.308309828 u |
| Formula |
C22H42O4 |
| InChI |
InChI=1S/C22H42O4/c1-5-7-9-11-13-15-17-19(21(23)25-3)20(22(24)26-4)18-16-14-12-10-8-6-2/h19-20H,5-18H2,1-4H3 |
| InChIKey |
KCQCFGRBRLQGKW-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(C(C(OC)=O)CCCCCCCC)(C(OC)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940696 |
