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1,4-Benzenedicarboxylic acid, dihexyl ester
SpectraBase Compound ID 13KR62ix7sM
InChI InChI=1S/C20H30O4/c1-3-5-7-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKey MLIPQTRXLNTCRS-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9L5gXxsVbCw
Name 1,4-Benzenedicarboxylic acid, dihexyl ester
Alternate Name(s) Dihexyl terephthalate Benzene-1,4-dicarboxylic acid dihexyl ester Dihexyl benzene-1,4-dicarboxylate Terephthalate, dihexyl Terephthalic acid, dihexyl ester Dihexyl terephalate
CAS Registry Number 1818-96-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-3-5-7-9-15-23-19(21)17-11-13-18(14-12-17)20(22)24-16-10-8-6-4-2/h11-14H,3-10,15-16H2,1-2H3
InChIKey MLIPQTRXLNTCRS-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(c1ccc(C(=O)OCCCCCC)cc1)(=O)OCCCCCC
SPLASH splash10-052f-9100000000-1450470bd97ed1d8cf73
Source of Spectrum E-31-2079-45
Wiley ID 1331075