| SpectraBase Spectrum ID |
LBNnAtpi1X6 |
| Name |
Succinic acid, 8-chlorooctyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.206737239 u |
| Formula |
C18H33ClO4 |
| InChI |
InChI=1S/C18H33ClO4/c1-3-16(4-2)15-23-18(21)12-11-17(20)22-14-10-8-6-5-7-9-13-19/h16H,3-15H2,1-2H3 |
| InChIKey |
VIBXNACWCQGPRE-UHFFFAOYSA-N |
| Molecular Weight |
348.911 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OCC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891191 |
