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Tridecanedioic acid dihexyl ester

View entire compound with spectra: 1 MS (GC)

Tridecanedioic acid dihexyl ester
SpectraBase Compound ID 5gkjDZFpFD8
InChI InChI=1S/C25H48O4/c1-3-5-7-18-22-28-24(26)20-16-14-12-10-9-11-13-15-17-21-25(27)29-23-19-8-6-4-2/h3-23H2,1-2H3
InChIKey JHXYDMXNJPPANJ-UHFFFAOYSA-N
Mol Weight 412.7 g/mol
Molecular Formula C25H48O4
Exact Mass 412.35526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 507ZSVTapTe
Name Tridecanedioic acid dihexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H48O4
InChI InChI=1S/C25H48O4/c1-3-5-7-18-22-28-24(26)20-16-14-12-10-9-11-13-15-17-21-25(27)29-23-19-8-6-4-2/h3-23H2,1-2H3
InChIKey JHXYDMXNJPPANJ-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 412.655 g/mol
SMILES CCCCCCOC(=O)CCCCCCCCCCCC(=O)OCCCCCC
SPLASH splash10-05fr-4931000000-fefef14efbb47feee0c0
Source of Spectrum SRH-2022-1745-0
Wiley ID 1824140