| SpectraBase Spectrum ID |
6OIcuBsNDyz |
| Name |
Succinic acid, 8-chlorooctyl but-3-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.159787045 u |
| Formula |
C16H27ClO4 |
| InChI |
InChI=1S/C16H27ClO4/c1-2-3-13-20-15(18)10-11-16(19)21-14-9-7-5-4-6-8-12-17/h2H,1,3-14H2 |
| InChIKey |
CIQCGKQMTIDLMP-UHFFFAOYSA-N |
| Molecular Weight |
318.841 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855228 |
