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Heptanedioic acid dihexyl ester
SpectraBase Compound ID J6SvNTXs93Q
InChI InChI=1S/C19H36O4/c1-3-5-7-12-16-22-18(20)14-10-9-11-15-19(21)23-17-13-8-6-4-2/h3-17H2,1-2H3
InChIKey IVDOEOOGJHETHB-UHFFFAOYSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LCOAg7soBCS
Name Heptanedioic acid dihexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-3-5-7-12-16-22-18(20)14-10-9-11-15-19(21)23-17-13-8-6-4-2/h3-17H2,1-2H3
InChIKey IVDOEOOGJHETHB-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 328.493 g/mol
SMILES CCCCCCOC(=O)CCCCCC(=O)OCCCCCC
SPLASH splash10-004l-6930000000-f58d4d93831d350da52c
Source of Spectrum SRH-2022-1740-0
Synonyms Dihexyl pimelate
Wiley ID 1824135