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Heptanedioic acid dibutyl ester
SpectraBase Compound ID 1nPD4zGjuuG
InChI InChI=1S/C15H28O4/c1-3-5-12-18-14(16)10-8-7-9-11-15(17)19-13-6-4-2/h3-13H2,1-2H3
InChIKey IQYKLRJIMOPPKB-UHFFFAOYSA-N
Mol Weight 272.38 g/mol
Molecular Formula C15H28O4
Exact Mass 272.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyIxFN8AjXT
Name Heptanedioic acid dibutyl ester
Alternate Name(s) Dibutyl pimelate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H28O4
InChI InChI=1S/C15H28O4/c1-3-5-12-18-14(16)10-8-7-9-11-15(17)19-13-6-4-2/h3-13H2,1-2H3
InChIKey IQYKLRJIMOPPKB-UHFFFAOYSA-N
Ionization Type EI-B
Molecular Weight 272.385 g/mol
SMILES CCCCOC(=O)CCCCCC(=O)OCCCC
SPLASH splash10-002r-2900000000-287761ec714e7fa0d8f4
Source of Spectrum SRH-2022-1733-0
Wiley ID 1824128