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Phthalic acid, 2-ethylhexyl neopentyl ester
SpectraBase Compound ID 2m1KDOdyjr7
InChI InChI=1S/C21H32O4/c1-6-8-11-16(7-2)14-24-19(22)17-12-9-10-13-18(17)20(23)25-15-21(3,4)5/h9-10,12-13,16H,6-8,11,14-15H2,1-5H3
InChIKey YBVMIPHELVWHIC-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7T1jTZp0LJi
Name Phthalic acid, 2-ethylhexyl neopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-6-8-11-16(7-2)14-24-19(22)17-12-9-10-13-18(17)20(23)25-15-21(3,4)5/h9-10,12-13,16H,6-8,11,14-15H2,1-5H3
InChIKey YBVMIPHELVWHIC-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES c1c(c(C(OCC(CC)CCCC)=O)ccc1)C(=O)OCC(C)(C)C
SPLASH splash10-0002-5910000000-2b8310eacb9789686d1c
Source of Spectrum NP-12-6378-0
Synonyms benzene-1,2-dicarboxylic acid O2-(2,2-dimethylpropyl) ester O1-(2-ethylhexyl) ester 2-O-(2,2-dimethylpropyl) 1-O-(2-ethylhexyl) benzene-1,2-dicarboxylate O2-(2,2-dimethylpropyl) O1-(2-ethylhexyl) benzene-1,2-dicarboxylate
Wiley ID 1110468