| SpectraBase Spectrum ID |
9olSmJydfVO |
| Name |
Succinic acid, dodec-2-en-1-yl 10-chlorodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.316287689 u |
| Formula |
C26H47ClO4 |
| InChI |
InChI=1S/C26H47ClO4/c1-2-3-4-5-6-7-9-12-15-18-23-30-25(28)20-21-26(29)31-24-19-16-13-10-8-11-14-17-22-27/h15,18H,2-14,16-17,19-24H2,1H3/b18-15+ |
| InChIKey |
KHYPPIMXXBFFAH-OBGWFSINSA-N |
| Molecular Weight |
459.111 g/mol |
| SMILES |
C(CC(OC\C=C\CCCCCCCCC)=O)C(OCCCCCCCCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848571 |
