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Pimelic acid, 2,4-dimethylpent-3-yl hexyl ester
SpectraBase Compound ID LqiSHqjn2g2
InChI InChI=1S/C20H38O4/c1-6-7-8-12-15-23-18(21)13-10-9-11-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3
InChIKey GETCIAGROYZHBV-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 2QEC0ghwBVt
Name Pimelic acid, 2,4-dimethylpent-3-yl hexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H38O4
InChI InChI=1S/C20H38O4/c1-6-7-8-12-15-23-18(21)13-10-9-11-14-19(22)24-20(16(2)3)17(4)5/h16-17,20H,6-15H2,1-5H3
InChIKey GETCIAGROYZHBV-UHFFFAOYSA-N
Molecular Weight 342.520 g/mol
SMILES C(CCCCCC(OC(C(C)C)C(C)C)=O)(OCCCCCC)=O
SPLASH splash10-002f-9720000000-40b8b8c87f2e5f30b011
Source of Spectrum TIPS-2022-855-0
Wiley ID 1822372