SpectraBase Spectrum ID |
L9lUgahEYUs |
Name |
Phthalic acid, 4-chloro-2-methylphenyl heptyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
388.144136981 u |
Formula |
C22H25ClO4 |
InChI |
InChI=1S/C22H25ClO4/c1-3-4-5-6-9-14-26-21(24)18-10-7-8-11-19(18)22(25)27-20-13-12-17(23)15-16(20)2/h7-8,10-13,15H,3-6,9,14H2,1-2H3 |
InChIKey |
MWDVGPIKPOPTAP-UHFFFAOYSA-N |
Molecular Weight |
388.891 g/mol |
SMILES |
C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCC)=O |