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2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]acetic acid methyl ester
SpectraBase Compound ID 9qO2gyTGG1Z
InChI InChI=1S/C18H32O4/c1-6-9-10-14(4)12-18(8-3)13-15(7-2)16(21-22-18)11-17(19)20-5/h13-14,16H,6-12H2,1-5H3/t14-,16-,18+/m0/s1
InChIKey NADAFJAMWAJIRR-QILLFSRXSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C5mM70IC6QD
Name 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]acetic acid methyl ester
Alternate Name(s) 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-o-dioxin-3-yl]acetic acid methyl ester Methyl 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]acetate Methyl 2-[(3S,6R)-4,6-diethyl-6-[(2S)-2-methylhexyl]-3H-1,2-dioxin-3-yl]ethanoate
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Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-6-9-10-14(4)12-18(8-3)13-15(7-2)16(21-22-18)11-17(19)20-5/h13-14,16H,6-12H2,1-5H3/t14-,16-,18+/m0/s1
InChIKey NADAFJAMWAJIRR-QILLFSRXSA-N
Molecular Weight 312.450 g/mol
SMILES C1(=C[C@](C[C@](CCCC)(C)[H])(CC)OO[C@]1(CC(=O)OC)[H])CC
SPLASH splash10-004i-0910000000-30276bb24e3888604309
Source of Spectrum F-54-3065-5
Wiley ID 806339