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1,2-Cyclobutanedicarboxylic acid, 1-cyano-3-[4-(2-cyano-3-methoxy-3-oxo-1-propenyl)phenyl]-4-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-methyl 2-(1-methylpropyl) ester
SpectraBase Compound ID 4QbqUYqjihQ
InChI InChI=1S/C36H38N2O8/c1-7-22(3)45-29(39)18-13-24-9-16-27(17-10-24)31-30(26-14-11-25(12-15-26)19-28(20-37)33(40)43-5)32(34(41)46-23(4)8-2)36(31,21-38)35(42)44-6/h9-19,22-23,30-32H,7-8H2,1-6H3/b18-13+,28-19+
InChIKey MTFSVGWLEOYXAF-IGPIJSKVSA-N
Mol Weight 626.7 g/mol
Molecular Formula C36H38N2O8
Exact Mass 626.262816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51qZJL4DY0
Name 1,2-Cyclobutanedicarboxylic acid, 1-cyano-3-[4-(2-cyano-3-methoxy-3-oxo-1-propenyl)phenyl]-4-[4-[3-(1-methylpropoxy)-3-oxo-1-propenyl]phenyl]-, 1-methyl 2-(1-methylpropyl) ester
Alternate Name(s) 2-sec-butyl 1-methyl 4-{4-[(1E)-3-sec-butoxy-3-oxo-1-propenyl]phenyl}-1-cyano-3-{4-[(1E)-2-cyano-3-methoxy-3-oxo-1-propenyl]phenyl}-1,2-cyclobutanedicarboxylate Methyl 1-cyano-2-sec-butoxy carbonyl-3-(p-methyl-2-cyano-(E)-propenoate)phenyl-4-(p-sec-butyl-3'-(E)-propenoate)phenylcyclobutanoate
CAS Registry Number 66965-64-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O8
InChI InChI=1S/C36H38N2O8/c1-7-22(3)45-29(39)18-13-24-9-16-27(17-10-24)31-30(26-14-11-25(12-15-26)19-28(20-37)33(40)43-5)32(34(41)46-23(4)8-2)36(31,21-38)35(42)44-6/h9-19,22-23,30-32H,7-8H2,1-6H3/b18-13+,28-19+
InChIKey MTFSVGWLEOYXAF-IGPIJSKVSA-N
Molecular Weight 626.706 g/mol
SMILES C1(C(C(OC(CC)C)=O)C(C1c1ccc(\C=C\C(=O)OC(CC)C)cc1)c1ccc(\C=C\(C(=O)OC)C#N)cc1)(C(=O)OC)C#N
SPLASH splash10-03xr-0009500000-d9b4b5390d100a4b7b1a
Source of Spectrum C-100-2843-0
Wiley ID 1411891