SpectraBase Spectrum ID |
4MbbPPucxZb |
Name |
Phthalic acid, 4-chloro-3-methylphenyl pentyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
360.112836852 u |
Formula |
C20H21ClO4 |
InChI |
InChI=1S/C20H21ClO4/c1-3-4-7-12-24-19(22)16-8-5-6-9-17(16)20(23)25-15-10-11-18(21)14(2)13-15/h5-6,8-11,13H,3-4,7,12H2,1-2H3 |
InChIKey |
KHWVPHFBLGNKMN-UHFFFAOYSA-N |
Molecular Weight |
360.837 g/mol |
SMILES |
C(C1=C(C(OCCCCC)=O)C=CC=C1)(OC1=CC=C(C(=C1)C)Cl)=O |