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1,11-bis[5(E)-[2-cyano-2-(methoxycarbonyl)vinyl]-2,4-dimethylpyrrol-3-yl]undecane
SpectraBase Compound ID 7JXiHdEIwMP
InChI InChI=1S/C33H44N4O4/c1-22-28(24(3)36-30(22)18-26(20-34)32(38)40-5)16-14-12-10-8-7-9-11-13-15-17-29-23(2)31(37-25(29)4)19-27(21-35)33(39)41-6/h18-19,36-37H,7-17H2,1-6H3/b26-18+,27-19+
InChIKey XBFAEAAUWOKKRS-BFNWXZRRSA-N
Mol Weight 560.7 g/mol
Molecular Formula C33H44N4O4
Exact Mass 560.336256 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZjzlSeuHOw
Name 1,11-bis[5(E)-[2-cyano-2-(methoxycarbonyl)vinyl]-2,4-dimethylpyrrol-3-yl]undecane
Alternate Name(s) Methyl (2E)-2-cyano-3-[4-(11-{5-[(1E)-2-cyano-3-methoxy-3-oxo-1-propenyl]-2,4-dimethyl-1H-pyrrol-3-yl}undecyl)-3,5-dimethyl-1H-pyrrol-2-yl]-2-propenoate
CAS Registry Number 113088-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H44N4O4
InChI InChI=1S/C33H44N4O4/c1-22-28(24(3)36-30(22)18-26(20-34)32(38)40-5)16-14-12-10-8-7-9-11-13-15-17-29-23(2)31(37-25(29)4)19-27(21-35)33(39)41-6/h18-19,36-37H,7-17H2,1-6H3/b26-18+,27-19+
InChIKey XBFAEAAUWOKKRS-BFNWXZRRSA-N
Molecular Weight 560.739 g/mol
SMILES [nH]1c(c(CCCCCCCCCCCc2c([nH]c(c2C)\C=C\(C(=O)OC)C#N)C)c(c1\C=C\(C(=O)OC)C#N)C)C
SPLASH splash10-029i-0980160000-3f22f29d6f13548e79a3
Source of Spectrum J-53-1350-15
Wiley ID 1406779