SpectraBase Compound ID | DMDXzmPAXEe |
---|---|
InChI | InChI=1S/C17H23ClO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3 |
InChIKey | WVEHBDHTOQYBOE-UHFFFAOYSA-N |
Mol Weight | 326.82 g/mol |
Molecular Formula | C17H23ClO4 |
Exact Mass | 326.128487 g/mol |
SpectraBase Spectrum ID | EhXOPwzeF8v |
---|---|
Name | Glutaric acid, 2-(4-chlorophenyl)ethyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 326.128486917 u |
Formula | C17H23ClO4 |
InChI | InChI=1S/C17H23ClO4/c1-13(2)12-22-17(20)5-3-4-16(19)21-11-10-14-6-8-15(18)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3 |
InChIKey | WVEHBDHTOQYBOE-UHFFFAOYSA-N |
Molecular Weight | 326.820 g/mol |
SMILES | C(OCCC1=CC=C(C=C1)Cl)(=O)CCCC(OCC(C)C)=O |