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Isophthalic acid, dibutyl ester
SpectraBase Compound ID EBjLpCjR1Zo
InChI InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey GOPWOUQJIMLDDM-UHFFFAOYSA-N
Mol Weight 278.35 g/mol
Molecular Formula C16H22O4
Exact Mass 278.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BKwTBKXGsES
Name Dibutyl isophthalate
CAS Registry Number 3126-90-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O4
InChI InChI=1S/C16H22O4/c1-3-5-10-19-15(17)13-8-7-9-14(12-13)16(18)20-11-6-4-2/h7-9,12H,3-6,10-11H2,1-2H3
InChIKey GOPWOUQJIMLDDM-UHFFFAOYSA-N
Molecular Weight 278.348 g/mol
SMILES CCCCOC(=O)c1cccc(c1)C(=O)OCCCC
SPLASH splash10-0002-4910000000-72bb6f2884236db6d6f8
Source of Spectrum JX-2015-2-867
Synonyms 1,3-Benzenedicarboxylic acid, dibutyl ester Isophthalic acid, dibutyl ester Dibutyl benzene-1,3-dicarboxylate
Wiley ID 1722559