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Pimelic acid, 2-methylpent-3-yl heptyl ester
SpectraBase Compound ID BIfpMxAcCuS
InChI InChI=1S/C20H38O4/c1-5-7-8-9-13-16-23-19(21)14-11-10-12-15-20(22)24-18(6-2)17(3)4/h17-18H,5-16H2,1-4H3
InChIKey JCDZIHSARVOOPV-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 99Dg1uUU3cc
Name Pimelic acid, 2-methylpent-3-yl heptyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-5-7-8-9-13-16-23-19(21)14-11-10-12-15-20(22)24-18(6-2)17(3)4/h17-18H,5-16H2,1-4H3
InChIKey JCDZIHSARVOOPV-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCC(OC(CC)C(C)C)=O)(OCCCCCCC)=O
SPLASH splash10-0006-9820000000-e9e3beab1ecd19d9849d
Source of Spectrum TIPS-2022-876-0
Wiley ID 1822393