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1,2-Benzenedicarboxylic acid, heptyl octyl ester
SpectraBase Compound ID 1rJMlQjVIPk
InChI InChI=1S/C23H36O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-10-8-6-4-2/h12-13,16-17H,3-11,14-15,18-19H2,1-2H3
InChIKey KFGWBTZKOAMKOT-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7YUANMcqZw
Name 1,2-Benzenedicarboxylic acid, heptyl octyl ester
Alternate Name(s) 1-Heptyl 2-octyl phthalate 1-O-heptyl 2-O-octyl benzene-1,2-dicarboxylate benzene-1,2-dicarboxylic acid O1-heptyl ester O2-octyl ester O1-heptyl O2-octyl benzene-1,2-dicarboxylate Phthalic acid, heptyl octyl ester
CAS Registry Number 88216-58-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-12-16-20(21)22(24)26-18-14-10-8-6-4-2/h12-13,16-17H,3-11,14-15,18-19H2,1-2H3
InChIKey KFGWBTZKOAMKOT-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(=O)(c1c(cccc1)C(=O)OCCCCCCCC)OCCCCCCC
SPLASH splash10-0002-5910000000-7da0f67fe0220ea8aa11
Wiley ID 1494209