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Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester

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Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester
SpectraBase Compound ID 14aFxmI15VL
InChI InChI=1S/C35H35N7O5/c1-19-25(7-9-33(44)46-5)30(40-27(19)11-23(15-36)16-37)13-29-21(3)35(22(4)43)32(42-29)14-31-26(8-10-34(45)47-6)20(2)28(41-31)12-24(17-38)18-39/h11-12,40-42H,7-10,13-14H2,1-6H3
InChIKey NCNZZSDVGXOBGY-UHFFFAOYSA-N
Mol Weight 633.7 g/mol
Molecular Formula C35H35N7O5
Exact Mass 633.269967 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Arg064wREK
Name Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester
CAS Registry Number 18851-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H35N7O5
InChI InChI=1S/C35H35N7O5/c1-19-25(7-9-33(44)46-5)30(40-27(19)11-23(15-36)16-37)13-29-21(3)35(22(4)43)32(42-29)14-31-26(8-10-34(45)47-6)20(2)28(41-31)12-24(17-38)18-39/h11-12,40-42H,7-10,13-14H2,1-6H3
InChIKey NCNZZSDVGXOBGY-UHFFFAOYSA-N
Molecular Weight 633.709 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c(Cc2c(CCC(=O)OC)c(C)c(C=C(C#N)C#N)[nH]2)[nH]1)C)C(C)=O)CCC(=O)OC)C)C=C(C#N)C#N
SPLASH splash10-014i-9112000000-db018ae27f292e8c0cc4
Source of Spectrum AD-0-2361-0
Synonyms Methyl 3-[2-[(3-acetyl-5-([5-(2,2-dicyanovinyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl)-4-methyl-1H-pyrrol-2-yl)methyl]-5-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]propanoate 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoic acid methyl ester 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanovinyl)-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]propionic acid methyl ester Methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanoethenyl)-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[2-[[4-acetyl-5-[[5-(2,2-dicyanovinyl)-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-5-(2,2-dicyanovinyl)-4-methyl-1H-pyrrol-3-yl]propanoate Methyl 3-[5-(2,2-dicyanoethenyl)-2-[[5-[[5-(2,2-dicyanoethenyl)-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethanoyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoate Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis*5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester
Wiley ID 65673