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(phenylmethyl) 5-[[5-(2,2-dicyanoethenyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

View entire compound with spectra: 1 MS (GC)

(phenylmethyl) 5-[[5-(2,2-dicyanoethenyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
SpectraBase Compound ID Ap5vMnLIuQ7
InChI InChI=1S/C27H28N4O2/c1-5-21-17(3)23(12-20(14-28)15-29)30-24(21)13-25-22(6-2)18(4)26(31-25)27(32)33-16-19-10-8-7-9-11-19/h7-12,30-31H,5-6,13,16H2,1-4H3
InChIKey DHUCPBJRUUIGKO-UHFFFAOYSA-N
Mol Weight 440.55 g/mol
Molecular Formula C27H28N4O2
Exact Mass 440.221226 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6hYT50mC0nx
Name (phenylmethyl) 5-[[5-(2,2-dicyanoethenyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
Alternate Name(s) 5-[[5-(2,2-dicyanoethenyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester 5-[[5-(2,2-dicyanovinyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid benzyl ester benzyl 5-[[5-(2,2-dicyanoethenyl)-3-ethyl-4-methyl-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
CAS Registry Number 97336-22-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28N4O2
InChI InChI=1S/C27H28N4O2/c1-5-21-17(3)23(12-20(14-28)15-29)30-24(21)13-25-22(6-2)18(4)26(31-25)27(32)33-16-19-10-8-7-9-11-19/h7-12,30-31H,5-6,13,16H2,1-4H3
InChIKey DHUCPBJRUUIGKO-UHFFFAOYSA-N
Molecular Weight 440.547 g/mol
SMILES [nH]1c(c(c(c1Cc1c(c(c([nH]1)C=C(C#N)C#N)C)CC)CC)C)C(OCc1ccccc1)=O
SPLASH splash10-0007-9401300000-30bff61f8551ece9049b
Source of Spectrum J-50-3836-23
Wiley ID 1384800