| SpectraBase Spectrum ID |
1MfzvMKkY7M |
| Name |
Diethylmalonic acid, 8-chlorooctyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.300637625 u |
| Formula |
C24H45ClO4 |
| InChI |
InChI=1S/C24H45ClO4/c1-4-7-8-9-11-14-17-20-28-22(26)24(5-2,6-3)23(27)29-21-18-15-12-10-13-16-19-25/h4-21H2,1-3H3 |
| InChIKey |
BLHKAHDUQJECFB-UHFFFAOYSA-N |
| Molecular Weight |
433.073 g/mol |
| SMILES |
C(C(C(OCCCCCCCCC)=O)(CC)CC)(OCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.914676 |
