| SpectraBase Spectrum ID |
9sUAJHL3lE2 |
| Name |
Malonic acid, 10-chlorodecyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.191087174 u |
| Formula |
C17H31ClO4 |
| InChI |
InChI=1S/C17H31ClO4/c1-15(2)14-22-17(20)13-16(19)21-12-10-8-6-4-3-5-7-9-11-18/h15H,3-14H2,1-2H3 |
| InChIKey |
IJONSIOAQZZMJJ-UHFFFAOYSA-N |
| Molecular Weight |
334.884 g/mol |
| SMILES |
C(C(OCCCCCCCCCCCl)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947801 |
