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Phthalic acid, 3-methylphenyl neopentyl ester
SpectraBase Compound ID 2bYnlu2Spc8
InChI InChI=1S/C20H22O4/c1-14-8-7-9-15(12-14)24-19(22)17-11-6-5-10-16(17)18(21)23-13-20(2,3)4/h5-12H,13H2,1-4H3
InChIKey SWUKLGVFRSYKNG-UHFFFAOYSA-N
Mol Weight 326.39 g/mol
Molecular Formula C20H22O4
Exact Mass 326.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E521K3JdX1y
Name Phthalic acid, 3-methylphenyl neopentyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O4
InChI InChI=1S/C20H22O4/c1-14-8-7-9-15(12-14)24-19(22)17-11-6-5-10-16(17)18(21)23-13-20(2,3)4/h5-12H,13H2,1-4H3
InChIKey SWUKLGVFRSYKNG-UHFFFAOYSA-N
Molecular Weight 326.392 g/mol
SMILES c1c(c(ccc1)C(Oc1cc(C)ccc1)=O)C(OCC(C)(C)C)=O
SPLASH splash10-00dj-8930000000-3cfff9ccce1348cf038c
Source of Spectrum NP-11-5406-0
Synonyms benzene-1,2-dicarboxylic acid O1-(2,2-dimethylpropyl) ester O2-(3-methylphenyl) ester 1-O-(2,2-dimethylpropyl) 2-O-(3-methylphenyl) benzene-1,2-dicarboxylate O1-(2,2-dimethylpropyl) O2-(m-tolyl) benzene-1,2-dicarboxylate O1-(2,2-dimethylpropyl) O2-(3-methylphenyl) benzene-1,2-dicarboxylate
Wiley ID 1109675