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Phthalic acid, neopentyl 4-(2-phenylprop-2-yl)phenyl ester
SpectraBase Compound ID BXZ4JAcX4Vo
InChI InChI=1S/C28H30O4/c1-27(2,3)19-31-25(29)23-13-9-10-14-24(23)26(30)32-22-17-15-21(16-18-22)28(4,5)20-11-7-6-8-12-20/h6-18H,19H2,1-5H3
InChIKey MNUBLDRKFYXBLO-UHFFFAOYSA-N
Mol Weight 430.54 g/mol
Molecular Formula C28H30O4
Exact Mass 430.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HhUCwN8Gbf
Name Phthalic acid, neopentyl 4-(2-phenylprop-2-yl)phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O4
InChI InChI=1S/C28H30O4/c1-27(2,3)19-31-25(29)23-13-9-10-14-24(23)26(30)32-22-17-15-21(16-18-22)28(4,5)20-11-7-6-8-12-20/h6-18H,19H2,1-5H3
InChIKey MNUBLDRKFYXBLO-UHFFFAOYSA-N
Molecular Weight 430.544 g/mol
SMILES c1(c(cccc1)C(OCC(C)(C)C)=O)C(Oc1ccc(cc1)C(C)(C)c1ccccc1)=O
SPLASH splash10-006t-6910000000-92d4e3076580dc32a7fb
Source of Spectrum NP-15-383-0
Synonyms benzene-1,2-dicarboxylic acid O1-(2,2-dimethylpropyl) ester O2-[4-(2-phenylpropan-2-yl)phenyl] ester 1-O-(2,2-dimethylpropyl) 2-O-[4-(2-phenylpropan-2-yl)phenyl] benzene-1,2-dicarboxylate O1-(2,2-dimethylpropyl) O2-[4-(1-methyl-1-phenyl-ethyl)phenyl] benzene-1,2-dicarboxylate O1-(2,2-dimethylpropyl) O2-[4-(2-phenylpropan-2-yl)phenyl] benzene-1,2-dicarboxylate
Wiley ID 1112198