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Phthalic acid, 2-chlorophenyl octyl ester

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Phthalic acid, 2-chlorophenyl octyl ester
SpectraBase Compound ID 6jpwDORwKUb
InChI InChI=1S/C22H25ClO4/c1-2-3-4-5-6-11-16-26-21(24)17-12-7-8-13-18(17)22(25)27-20-15-10-9-14-19(20)23/h7-10,12-15H,2-6,11,16H2,1H3
InChIKey KGBBRPBKTRJHTH-UHFFFAOYSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5TwswKiDxi6
Name Phthalic acid, 2-chlorophenyl octyl 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/c1-2-3-4-5-6-11-16-26-21(24)17-12-7-8-13-18(17)22(25)27-20-15-10-9-14-19(20)23/h7-10,12-15H,2-6,11,16H2,1H3
InChIKey KGBBRPBKTRJHTH-UHFFFAOYSA-N
Molecular Weight 388.891 g/mol
SMILES C(C1=C(C=CC=C1)C(=O)OCCCCCCCC)(OC1=C(C=CC=C1)Cl)=O