| SpectraBase Spectrum ID |
KdtpDblfYTa |
| Name |
Succinic acid, 8-chlorooctyl cis-pent-2-en-1-yl 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/c1-2-3-9-14-21-16(19)11-12-17(20)22-15-10-7-5-4-6-8-13-18/h3,9H,2,4-8,10-15H2,1H3/b9-3- |
| InChIKey |
ZUWRYWKMLHSIMS-OQFOIZHKSA-N |
| Molecular Weight |
332.868 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OC\C=C/CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874167 |
