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2-Furannonanoic acid, 3,4-dimethyl-.theta.-oxo-5-pentyl-, methyl ester
SpectraBase Compound ID GSjpjGQpvkz
InChI InChI=1S/C21H34O4/c1-5-6-10-14-19-16(2)17(3)21(25-19)18(22)13-11-8-7-9-12-15-20(23)24-4/h5-15H2,1-4H3
InChIKey ATIMZTVRSPKVTL-UHFFFAOYSA-N
Mol Weight 350.5 g/mol
Molecular Formula C21H34O4
Exact Mass 350.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5HNQty0cJw0
Name 2-Furannonanoic acid, 3,4-dimethyl-.theta.-oxo-5-pentyl-, methyl ester
CAS Registry Number 99290-31-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O4
InChI InChI=1S/C21H34O4/c1-5-6-10-14-19-16(2)17(3)21(25-19)18(22)13-11-8-7-9-12-15-20(23)24-4/h5-15H2,1-4H3
InChIKey ATIMZTVRSPKVTL-UHFFFAOYSA-N
Molecular Weight 350.499 g/mol
SMILES c1(oc(CCCCC)c(c1C)C)C(=O)CCCCCCCC(=O)OC
SPLASH splash10-0pb9-0951000000-61045a74a8a8ae6d1cad
Source of Spectrum H-68-1632-17
Synonyms 9-(3,4-Dimethyl-5-pentyl-2-furyl)-9-oxononansaure-methylester Methyl 9-(3,4-dimethyl-5-pentyl-2-furyl)-9-oxononanoate
Wiley ID 1342148