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4-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-amino]-benzoic acid methyl ester
SpectraBase Compound ID BXnLXRHSCRi
InChI InChI=1S/C22H21IN2O2/c1-14-11-20(9-10-21(14)23)25-15(2)12-18(16(25)3)13-24-19-7-5-17(6-8-19)22(26)27-4/h5-13H,1-4H3/b24-13+
InChIKey WNAAJIYJKHYTIS-ZMOGYAJESA-N
Mol Weight 472.33 g/mol
Molecular Formula C22H21IN2O2
Exact Mass 472.064773 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1X2LkgIBQaY
Name 4-[[1-(4-iodo-3-methyl-phenyl)-2,5-dimethyl-1H-pyrrol-3-ylmethylene]-amino]-benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21IN2O2
InChI InChI=1S/C22H21IN2O2/c1-14-11-20(9-10-21(14)23)25-15(2)12-18(16(25)3)13-24-19-7-5-17(6-8-19)22(26)27-4/h5-13H,1-4H3/b24-13+
InChIKey WNAAJIYJKHYTIS-ZMOGYAJESA-N
Molecular Weight 472.326 g/mol
SMILES c1(c(cc(cc1)-[n]1c(c(cc1C)\C=N\c1ccc(cc1)C(OC)=O)C)C)I
SPLASH splash10-00di-4921800000-591dece6f050805a583e
Synonyms Methyl 4-({(E)-[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate Methyl 4-({[1-(4-iodo-3-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}amino)benzoate
Wiley ID 1438335