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Peroxy-Acarnoic Acid C - Methyl Ester
SpectraBase Compound ID 4N2Ho6TkaWV
InChI InChI=1S/C24H38O6/c1-21(25)16-14-12-10-8-6-4-5-7-9-11-13-15-18-24(28-3)19-17-22(29-30-24)20-23(26)27-2/h5,7,22H,4,6,8,10,12-20H2,1-3H3/b7-5+/t22-,24+/m0/s1
InChIKey MVVBVWGLTALOPD-NLIXDXLRSA-N
Mol Weight 422.6 g/mol
Molecular Formula C24H38O6
Exact Mass 422.266839 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3b95mas40Lu
Name Peroxy-Acarnoic Acid C - Methyl Ester
Alternate Name(s) 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxohexadec-6-en-4-ynyl]-3-dioxanyl]acetic acid methyl ester Methyl 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxohexadec-6-en-4-ynyl]dioxan-3-yl]acetate Methyl 2-[(3S,6R)-6-methoxy-6-[(E)-15-oxidanylidenehexadec-6-en-4-ynyl]-1,2-dioxan-3-yl]ethanoate
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Formula C24H38O6
InChI InChI=1S/C24H38O6/c1-21(25)16-14-12-10-8-6-4-5-7-9-11-13-15-18-24(28-3)19-17-22(29-30-24)20-23(26)27-2/h5,7,22H,4,6,8,10,12-20H2,1-3H3/b7-5+/t22-,24+/m0/s1
InChIKey MVVBVWGLTALOPD-NLIXDXLRSA-N
Molecular Weight 422.562 g/mol
SMILES [C@@]1(OO[C@@](CC1)(CC(=O)OC)[H])(OC)CCCC#C\C=C\CCCCCCCC(=O)C
SPLASH splash10-00kr-6900000000-aa30efc6cc7d620f9a73
Source of Spectrum G4-64-133-1
Wiley ID 1608781