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Phthalic acid, 3,5-dimethylphenyl neopentyl ester
SpectraBase Compound ID 4PO5W4NXCAw
InChI InChI=1S/C21H24O4/c1-14-10-15(2)12-16(11-14)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3
InChIKey STRCTMHUGIBXAF-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 E3WqPzSY2PM
Name Phthalic acid, 3,5-dimethylphenyl neopentyl ester
Alternate Name(s) benzene-1,2-dicarboxylic acid O2-(3,5-dimethylphenyl) ester O1-(2,2-dimethylpropyl) ester 2-O-(3,5-dimethylphenyl) 1-O-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate O2-(3,5-dimethylphenyl) O1-(2,2-dimethylpropyl) benzene-1,2-dicarboxylate
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Formula C21H24O4
InChI InChI=1S/C21H24O4/c1-14-10-15(2)12-16(11-14)25-20(23)18-9-7-6-8-17(18)19(22)24-13-21(3,4)5/h6-12H,13H2,1-5H3
InChIKey STRCTMHUGIBXAF-UHFFFAOYSA-N
Molecular Weight 340.419 g/mol
SMILES c1c(c(ccc1)C(Oc1cc(C)cc(C)c1)=O)C(OCC(C)(C)C)=O
SPLASH splash10-00dj-8920000000-0b4f1407bde586d32d3f
Source of Spectrum NP-12-2594-0
Wiley ID 1110183