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Pimelic acid, 4-heptyl hexyl ester
SpectraBase Compound ID 6d3x7viz8XV
InChI InChI=1S/C20H38O4/c1-4-7-8-12-17-23-19(21)15-10-9-11-16-20(22)24-18(13-5-2)14-6-3/h18H,4-17H2,1-3H3
InChIKey UYWOBAFXJJKLMN-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C20H38O4
Exact Mass 342.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DELsGdbQfmH
Name Pimelic acid, 4-heptyl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-4-7-8-12-17-23-19(21)15-10-9-11-16-20(22)24-18(13-5-2)14-6-3/h18H,4-17H2,1-3H3
InChIKey UYWOBAFXJJKLMN-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCC(OC(CCC)CCC)=O)(OCCCCCC)=O
SPLASH splash10-002f-7920000000-fe5f10ae9367a37d1905
Source of Spectrum TIPS-2022-823-0
Wiley ID 1822340