| SpectraBase Spectrum ID |
JDzoBT3I7aF |
| Name |
Fumaric acid, 6-chlorohexyl heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.175437110 u |
| Formula |
C17H29ClO4 |
| InChI |
InChI=1S/C17H29ClO4/c1-2-3-4-6-9-14-21-16(19)11-12-17(20)22-15-10-7-5-8-13-18/h11-12H,2-10,13-15H2,1H3/b12-11+ |
| InChIKey |
IHRHRWDMKDXWJY-VAWYXSNFSA-N |
| Molecular Weight |
332.868 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCl)=O)(OCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86107 |
