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Dimethyl 2-prenyl-2-[cis-4-(1,1-bis(methoxycarbonyl)but-3-ynyl)cyclohex-2-enyl]malonate
SpectraBase Compound ID CMJquqSpKds
InChI InChI=1S/C24H32O8/c1-8-14-23(19(25)29-4,20(26)30-5)17-9-11-18(12-10-17)24(21(27)31-6,22(28)32-7)15-13-16(2)3/h1,9,11,13,17-18H,10,12,14-15H2,2-7H3/t17-,18+/m1/s1
InChIKey UFKJBYONULLWIV-MSOLQXFVSA-N
Mol Weight 448.5 g/mol
Molecular Formula C24H32O8
Exact Mass 448.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmNrCwon76l
Name Dimethyl 2-prenyl-2-[cis-4-(1,1-bis(methoxycarbonyl)but-3-ynyl)cyclohex-2-enyl]malonate
Comments Less than 3 mono-isotopic peaks
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Formula C24H32O8
InChI InChI=1S/C24H32O8/c1-8-14-23(19(25)29-4,20(26)30-5)17-9-11-18(12-10-17)24(21(27)31-6,22(28)32-7)15-13-16(2)3/h1,9,11,13,17-18H,10,12,14-15H2,2-7H3/t17-,18+/m1/s1
InChIKey UFKJBYONULLWIV-MSOLQXFVSA-N
Molecular Weight 448.512 g/mol
SMILES C(C(=O)OC)(C(=O)OC)(CC=C(C)C)[C@]1(C=C[C@@](C(C(=O)OC)(C(=O)OC)CC#C)(CC1)[H])[H]
SPLASH splash10-0002-0900000000-1acf6b602063ad98ded5
Source of Spectrum QE-12-1803-30
Synonyms dimethyl 2-{(1R,4S)-4-[1,1-bis(methoxycarbonyl)-3-butynyl]-2-cyclohexen-1-yl}-2-(3-methyl-2-butenyl)malonate
Wiley ID 1586775