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2-[4,6-diethyl-6-(4-ethyl-2-methyloctyl)-3H-dioxin-3-yl]acetic acid
SpectraBase Compound ID JHfl6xu9tct
InChI InChI=1S/C21H38O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h15-17,19H,6-14H2,1-5H3,(H,22,23)
InChIKey PGURXSLSPSOJSS-UHFFFAOYSA-N
Mol Weight 354.5 g/mol
Molecular Formula C21H38O4
Exact Mass 354.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ajT9rxktE5
Name 2-[4,6-diethyl-6-(4-ethyl-2-methyl-octyl)-3H-1,2-dioxin-3-yl]acetic acid
Alternate Name(s) 2-[4,6-diethyl-6-(4-ethyl-2-methyl-octyl)-3H-1,2-dioxin-3-yl]ethanoic acid 2-[4,6-diethyl-6-(4-ethyl-2-methyl-octyl)-3H-o-dioxin-3-yl]acetic acid
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Formula C21H38O4
InChI InChI=1S/C21H38O4/c1-6-10-11-17(7-2)12-16(5)14-21(9-4)15-18(8-3)19(24-25-21)13-20(22)23/h15-17,19H,6-14H2,1-5H3,(H,22,23)
InChIKey PGURXSLSPSOJSS-UHFFFAOYSA-N
Molecular Weight 354.531 g/mol
SMILES OC(CC1OOC(C=C1CC)(CC(CC(CC)CCCC)C)CC)=O
SPLASH splash10-0a4r-8910000000-de383fedb048efbb36f4
Source of Spectrum X2-53-673-3
Wiley ID 1603566