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2-[4-(1,1-dimethylhexyl)phenoxy]acetic acid methyl ester
SpectraBase Compound ID BpWHFCJWtp
InChI InChI=1S/C17H26O3/c1-5-6-7-12-17(2,3)14-8-10-15(11-9-14)20-13-16(18)19-4/h8-11H,5-7,12-13H2,1-4H3
InChIKey DURRCWNXUOYTKE-UHFFFAOYSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Luv5TW70CB
Name 2-[4-(1,1-dimethylhexyl)phenoxy]acetic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-5-6-7-12-17(2,3)14-8-10-15(11-9-14)20-13-16(18)19-4/h8-11H,5-7,12-13H2,1-4H3
InChIKey DURRCWNXUOYTKE-UHFFFAOYSA-N
Molecular Weight 278.392 g/mol
SMILES C(=O)(COc1ccc(C(CCCCC)(C)C)cc1)OC
SPLASH splash10-0a4i-0090000000-76b93c540f130b3c0c4e
Source of Spectrum KO-15-278-0
Synonyms 2-[4-(2-methylheptan-2-yl)phenoxy]acetic acid methyl ester Methyl 2-[4-(1,1-dimethylhexyl)phenoxy]acetate Methyl 2-[4-(2-methylheptan-2-yl)phenoxy]acetate Methyl 2-[4-(2-methylheptan-2-yl)phenoxy]ethanoate
Wiley ID 1282303