| SpectraBase Spectrum ID |
34H0EduVJrm |
| Name |
Malonic acid, 8-chlorooctyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.159787045 u |
| Formula |
C15H27ClO4 |
| InChI |
InChI=1S/C15H27ClO4/c1-13(2)12-20-15(18)11-14(17)19-10-8-6-4-3-5-7-9-16/h13H,3-12H2,1-2H3 |
| InChIKey |
HSJUCFNMXKNWJC-UHFFFAOYSA-N |
| Molecular Weight |
306.830 g/mol |
| SMILES |
C(C(OCCCCCCCCCl)=O)C(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928666 |
