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2-Furannonanoic acid, 3,4-dimethyl-5-pentyl-, methyl ester
SpectraBase Compound ID 65U0qBAVLnn
InChI InChI=1S/C21H36O3/c1-5-6-11-14-19-17(2)18(3)20(24-19)15-12-9-7-8-10-13-16-21(22)23-4/h5-16H2,1-4H3
InChIKey YFVSSJJNHGYGOA-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C21H36O3
Exact Mass 336.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BeTJgOuzYoW
Name 2-Furannonanoic acid, 3,4-dimethyl-5-pentyl-, methyl ester
CAS Registry Number 81144-79-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3
InChI InChI=1S/C21H36O3/c1-5-6-11-14-19-17(2)18(3)20(24-19)15-12-9-7-8-10-13-16-21(22)23-4/h5-16H2,1-4H3
InChIKey YFVSSJJNHGYGOA-UHFFFAOYSA-N
Molecular Weight 336.516 g/mol
SMILES c1(c(c(CCCCC)oc1CCCCCCCCC(=O)OC)C)C
SPLASH splash10-004i-0911000000-c465460c92c3a20e2aff
Source of Spectrum H-68-1632-18
Synonyms Methyl 9-(3,4-dimethyl-5-pentyl-2-furyl)nonanoate 9-(3,4-dimethyl-5-pentyl-2-furanyl)nonanoic acid methyl ester Methyl 9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoate Methyl 9-(3,4-dimethyl-5-pentyl-furan-2-yl)nonanoate
Wiley ID 1332723