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2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyloct-5-enyl]-3H-dioxin-3-yl]acetic acid
SpectraBase Compound ID JV1qrmfh23W
InChI InChI=1S/C21H36O4/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/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,22,23)/b11-10+
InChIKey LXNOXMXZWPALFI-ZHACJKMWSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KBoetra30RQ
Name 2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyl-oct-5-enyl]-3H-1,2-dioxin-3-yl]acetic acid
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Formula C21H36O4
InChI InChI=1S/C21H36O4/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/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,22,23)/b11-10+
InChIKey LXNOXMXZWPALFI-ZHACJKMWSA-N
Molecular Weight 352.515 g/mol
SMILES OC(CC1OOC(C=C1CC)(CC(CC(\C=C\CC)CC)C)CC)=O
SPLASH splash10-0fr2-0920000000-d91cf732658abccbcee0
Source of Spectrum X2-53-673-1
Synonyms 2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyl-oct-5-enyl]-3H-1,2-dioxin-3-yl]ethanoic acid 2-[4,6-diethyl-6-[(E)-4-ethyl-2-methyl-oct-5-enyl]-3H-o-dioxin-3-yl]acetic acid
Wiley ID 1603567