| SpectraBase Spectrum ID |
9ARiGlTycec |
| Name |
Succinic acid, 8-chlorooctyl 4-octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
376.238037367 u |
| Formula |
C20H37ClO4 |
| InChI |
InChI=1S/C20H37ClO4/c1-3-5-13-18(12-4-2)25-20(23)15-14-19(22)24-17-11-9-7-6-8-10-16-21/h18H,3-17H2,1-2H3 |
| InChIKey |
NVSQVVAIBZCYLE-UHFFFAOYSA-N |
| Molecular Weight |
376.965 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OC(CCCC)CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.929501 |
