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1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]-

Compound with spectra: 1 MS (GC)

1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]-
SpectraBase Compound ID 21PwwcZhJJj
InChI InChI=1S/C57H63N3O12/c1-10-34(7)70-44(61)29-20-37-16-21-39(22-17-37)47-45(52(63)71-35(8)11-2)49(56(47,32-59)54(65)68-14-5)41-25-27-42(28-26-41)50-46(53(64)72-36(9)12-3)48(57(50,33-60)55(66)69-15-6)40-23-18-38(19-24-40)30-43(31-58)51(62)67-13-4/h16-30,34-36,45-50H,10-15H2,1-9H3/b29-20+,43-30+/t34-,35?,36-,45-,46?,47+,48?,49+,50?,56-,57?/m0/s1
InChIKey JRLIKKHGKWHTQM-PSKCAONRSA-N
Mol Weight 982.1 g/mol
Molecular Formula C57H63N3O12
Exact Mass 981.441174 g/mol
Enantiomer InChIKey JRLIKKHGKWHTQM-CBBSFKOXSA-N

View Spectrum of 1,3-Cyclobutanedicarboxylic acid, 1-cyano-2-[4-[2-cyano-3-[4-(2-cyano-3-ethoxy-3-oxo-1-propenyl)phenyl]-2-(ethoxycarbonyl)-4-[(1-methylpropoxy)carbonyl]cyclobutyl]phenyl]-4 -[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-ethyl 3-(1-methylpropyl) ester, [1S-[1.alpha.,2.alpha.[1R*,2R*,3R*(E),4S*(R*)],3.beta.(R*),4.beta.[E(R*)]]]-

MS (GC) Spectrum
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Source of Spectrum C-100-2843-0
Trimer of ethyl 2-cyano-3-(4-<3-butoxy-3-oxo-(E)-propenyl)-phenyl-(E)-propenoate
2-(4-Methoxybenzylidene)-1-cyano-3-oxo-5-phenylcyclopentanecarboxylic acid ethyl Ester
2-Benzylidene-1-cyano-3-oxo-5-phenylcyclopentanecarboxylic acid ethyl Ester
7-benzylidene-2,3,4,5,6,7-hexahydro-2-oxo-4-phenylcyclopenta[b]pyran-3-carboxylic acid, ethyl ester
WJMNDDQFYZFBAV-TXDFSOKUSA-N
(3S,4R,5S)-3,5-diphenyl-4-formylpyrrolidine-2,2-diethyl dicarboxylate
Ethyl 4-(methylphenyl)-2-hydroxy-2-phenyl-1-oxocyclopentane-5-carboxylate
6-(4-Methylphenyl)-4-phenyl-5-cyano-2-cyanoiminopiperidine-5-carboxamide
21,22-Dimethoxydecacyclo[14.10.1,1(4,13).1(7,10).0(2,15).0(3,14).0(5,12).0(6,11).0(17,26).0(19,24)]hexacosa-8,17,19,21,23,25-hexene
(1S,6S)-(1R,2S,5R)-2-(2-(6-methoxy-naphtalen-2-yl)propanyl)-5-methyl-cyclohexyl-7,7-dimethyl-5-oxobicyclo[4.2.0]octane-1-carboxylate
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