SpectraBase Spectrum ID |
1pquQ65g6HA |
Name |
Succinic acid, dec-2-yl 8-chlorooctyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
404.269337496 u |
Formula |
C22H41ClO4 |
InChI |
InChI=1S/C22H41ClO4/c1-3-4-5-6-9-12-15-20(2)27-22(25)17-16-21(24)26-19-14-11-8-7-10-13-18-23/h20H,3-19H2,1-2H3 |
InChIKey |
IKHVJILWQHTJFO-UHFFFAOYSA-N |
Molecular Weight |
405.019 g/mol |
SMILES |
C(CC(OC(CCCCCCCC)C)=O)C(OCCCCCCCCCl)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927001 |