| SpectraBase Spectrum ID |
CCN2tUfuSUF |
| Name |
Fumaric acid, 2-chloroethyl heptadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-22(25)17-18-23(26)28-21-19-24/h17-18H,2-16,19-21H2,1H3/b18-17+ |
| InChIKey |
GUJOINUPVRCFDK-ISLYRVAYSA-N |
| Molecular Weight |
417.030 g/mol |
| SMILES |
C(CCCCCCCOC(\C=C\C(OCCCl)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932566 |
