| SpectraBase Spectrum ID |
CZpPCJl4yFg |
| Name |
Sebacic acid, 2-chloro-5-methylphenyl ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.159787045 u |
| Formula |
C19H27ClO4 |
| InChI |
InChI=1S/C19H27ClO4/c1-3-23-18(21)10-8-6-4-5-7-9-11-19(22)24-17-14-15(2)12-13-16(17)20/h12-14H,3-11H2,1-2H3 |
| InChIKey |
MKLHFXMFPYLPCL-UHFFFAOYSA-N |
| Molecular Weight |
354.874 g/mol |
| SMILES |
C(CCCC(OC1=CC(C)=CC=C1Cl)=O)CCCCC(OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921838 |
