| SpectraBase Spectrum ID |
Au2877C4MmK |
| Name |
Diethylmalonic acid, 2-chloro-4-methoxyphenyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.123401536 u |
| Formula |
C17H23ClO5 |
| InChI |
InChI=1S/C17H23ClO5/c1-5-10-22-15(19)17(6-2,7-3)16(20)23-14-9-8-12(21-4)11-13(14)18/h8-9,11H,5-7,10H2,1-4H3 |
| InChIKey |
FPNPFQLIYBCKSD-UHFFFAOYSA-N |
| Molecular Weight |
342.819 g/mol |
| SMILES |
C(C(C(OCCC)=O)(CC)CC)(OC1=CC=C(OC)C=C1Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879645 |
