| SpectraBase Spectrum ID |
7FczjBa1h3L |
| Name |
Fumaric acid, 10-chlorodecyl nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.269337496 u |
| Formula |
C23H41ClO4 |
| InChI |
InChI=1S/C23H41ClO4/c1-2-3-4-5-9-12-15-20-27-22(25)17-18-23(26)28-21-16-13-10-7-6-8-11-14-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey |
ACJORMVAPZCSEZ-ISLYRVAYSA-N |
| Molecular Weight |
417.030 g/mol |
| SMILES |
C(OCCCCCCCCCCCl)(\C=C\C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967463 |
