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Phthalic acid, 4-chloro-3-methylphenyl neopentyl ester
SpectraBase Compound ID 2qcZ3KzNpzJ
InChI InChI=1S/C20H21ClO4/c1-13-11-14(9-10-17(13)21)25-19(23)16-8-6-5-7-15(16)18(22)24-12-20(2,3)4/h5-11H,12H2,1-4H3
InChIKey NLRCYJGPVJTIIC-UHFFFAOYSA-N
Mol Weight 360.84 g/mol
Molecular Formula C20H21ClO4
Exact Mass 360.112837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEuJT8HvpXd
Name Phthalic acid, 4-chloro-3-methylphenyl neopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO4
InChI InChI=1S/C20H21ClO4/c1-13-11-14(9-10-17(13)21)25-19(23)16-8-6-5-7-15(16)18(22)24-12-20(2,3)4/h5-11H,12H2,1-4H3
InChIKey NLRCYJGPVJTIIC-UHFFFAOYSA-N
Molecular Weight 360.837 g/mol
SMILES c1c(cc(c(c1)Cl)C)OC(=O)c1c(cccc1)C(OCC(C)(C)C)=O
SPLASH splash10-00dj-6940000000-9d366ad3deed7fb5bf19
Source of Spectrum NP-13-1349-0
Synonyms benzene-1,2-dicarboxylic acid O2-(4-chloro-3-methylphenyl) ester O1-(2,2-dimethylpropyl) ester 2-O-(4-chloro-3-methylphenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-(4-chloro-3-methyl-phenyl) O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-(4-chloranyl-3-methyl-phenyl) O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
Wiley ID 1110833