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2,4-dichlorobenzoic acid, p-tert-butylphenyl ester
SpectraBase Compound ID 4Pqg1xZqADK
InChI InChI=1S/C17H16Cl2O2/c1-17(2,3)11-4-7-13(8-5-11)21-16(20)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3
InChIKey MOQQISWQKCIOPL-UHFFFAOYSA-N
Mol Weight 323.22 g/mol
Molecular Formula C17H16Cl2O2
Exact Mass 322.052735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TiXS3lurel
Name 4-tert-Butylphenyl 2,4-dichlorobenzoate
CAS Registry Number 109157-32-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16Cl2O2
InChI InChI=1S/C17H16Cl2O2/c1-17(2,3)11-4-7-13(8-5-11)21-16(20)14-9-6-12(18)10-15(14)19/h4-10H,1-3H3
InChIKey MOQQISWQKCIOPL-UHFFFAOYSA-N
Molecular Weight 323.219 g/mol
SMILES c1(C(Oc2ccc(C(C)(C)C)cc2)=O)c(cc(cc1)Cl)Cl
SPLASH splash10-00fr-2901000000-da3d68a26d89100dc670
Source of Spectrum AD-0-2532-0
Synonyms (4-tert-butylphenyl) 2,4-bis(chloranyl)benzoate 2,4-Dichlorobenzoic acid (4-tert-butylphenyl) ester Benzoic acid, 2,4-dichloro-, p-tert-butylphenyl ester
Wiley ID 1428750