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Phthalic acid, 3,4-dimethylphenyl neopentyl ester
SpectraBase Compound ID 2eduDTj6Kh9
InChI InChI=1S/C21H24O4/c1-14-10-11-16(12-15(14)2)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3
InChIKey IGCIOFOUGYIAPI-UHFFFAOYSA-N
Mol Weight 340.42 g/mol
Molecular Formula C21H24O4
Exact Mass 340.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rMdsH1taeA
Name Phthalic acid, 3,4-dimethylphenyl neopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-14-10-11-16(12-15(14)2)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3
InChIKey IGCIOFOUGYIAPI-UHFFFAOYSA-N
Molecular Weight 340.419 g/mol
SMILES c1(c(cccc1)C(Oc1cc(c(cc1)C)C)=O)C(OCC(C)(C)C)=O
SPLASH splash10-00dj-6930000000-e558113520d3c967d211
Source of Spectrum NP-12-2597-0
Synonyms benzene-1,2-dicarboxylic acid O2-(3,4-dimethylphenyl) ester O1-(2,2-dimethylpropyl) ester 2-O-(3,4-dimethylphenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-(3,4-dimethylphenyl) O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
Wiley ID 1110184