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Phthalic acid, 6-ethyl-3-octyl heptyl ester
SpectraBase Compound ID 3XgX5kwLSwP
InChI InChI=1S/C25H40O4/c1-5-9-10-11-14-19-28-24(26)22-15-12-13-16-23(22)25(27)29-21(8-4)18-17-20(6-2)7-3/h12-13,15-16,20-21H,5-11,14,17-19H2,1-4H3
InChIKey OUAHMXHMGBDSQY-UHFFFAOYSA-N
Mol Weight 404.6 g/mol
Molecular Formula C25H40O4
Exact Mass 404.29266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lnu6R8TMrtI
Name Phthalic acid, 6-ethyl-3-octyl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H40O4
InChI InChI=1S/C25H40O4/c1-5-9-10-11-14-19-28-24(26)22-15-12-13-16-23(22)25(27)29-21(8-4)18-17-20(6-2)7-3/h12-13,15-16,20-21H,5-11,14,17-19H2,1-4H3
InChIKey OUAHMXHMGBDSQY-UHFFFAOYSA-N
Molecular Weight 404.591 g/mol
SMILES c1(ccccc1C(OC(CC)CCC(CC)CC)=O)C(=O)OCCCCCCC
SPLASH splash10-0002-2900000000-0880fc6b87ea907b11eb
Source of Spectrum NP-14-5753-0
Synonyms benzene-1,2-dicarboxylic acid O2-(6-ethyloctan-3-yl) ester O1-heptyl ester 2-O-(6-ethyloctan-3-yl) 1-O-heptyl benzene-1,2-dicarboxylate O2-(1,4-diethylhexyl) O1-heptyl benzene-1,2-dicarboxylate O2-(6-ethyloctan-3-yl) O1-heptyl benzene-1,2-dicarboxylate
Wiley ID 1111837