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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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pi9UpGsrZe
Name Pyrrole-3-propionic acid, 2,2'-[(3-acetyl-4-methylpyrrole-2,5-diyl)dimethylene]bis[5-(2,2-dicyanovinyl)-4-methyl-, dimethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 633.269967250 u
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 C=1(NC(CC=2NC(=C(C2CCC(=O)OC)C)C=C(C#N)C#N)=C(C1C)C(=O)C)CC=1NC(=C(C1CCC(=O)OC)C)C=C(C#N)C#N