| SpectraBase Spectrum ID |
k5sgMh3q7h |
| Name |
Diethylmalonic acid, 2-hexyl nonyl 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/c1-6-10-12-13-14-15-16-18-25-20(23)22(8-3,9-4)21(24)26-19(5)17-11-7-2/h19H,6-18H2,1-5H3 |
| InChIKey |
CYLYSERNKVSNEB-UHFFFAOYSA-N |
| Molecular Weight |
370.574 g/mol |
| SMILES |
C(C(C(OCCCCCCCCC)=O)(CC)CC)(OC(C)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872775 |
