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3-{{(4Z)-4,5-Dihydro-5-hydroxy-2-methyl-5-(4-methylphenyl)-4-[2-(4-methylphenyl)-2-oxoethylidene]-1-(phenylmethyl)-1H-pyrrol-3-yl}carbonyl}-2H-1-benzopyran-2-one
SpectraBase Compound ID 8SiqrIMWwUs
InChI InChI=1S/C38H31NO5/c1-24-13-17-28(18-14-24)33(40)22-32-35(36(41)31-21-29-11-7-8-12-34(29)44-37(31)42)26(3)39(23-27-9-5-4-6-10-27)38(32,43)30-19-15-25(2)16-20-30/h4-22,43H,23H2,1-3H3/b32-22-
InChIKey UALLZFRGYXTATI-JDCMOKTRSA-N
Mol Weight 581.7 g/mol
Molecular Formula C38H31NO5
Exact Mass 581.220223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ILmIv0VfPke
Name 3-{{(4Z)-4,5-Dihydro-5-hydroxy-2-methyl-5-(4-methylphenyl)-4-[2-(4-methylphenyl)-2-oxoethylidene]-1-(phenylmethyl)-1H-pyrrol-3-yl}carbonyl}-2H-1-benzopyran-2-one
Alternate Name(s) (Z)-3-(1-benzyl-5-hydroxy-2-methyl-4-(2-oxo-2-(p-tolyl)ethylidene)-5-(p-tolyl)-4,5-dihydro-1H-pyrrole-3-carbonyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H31NO5
InChI InChI=1S/C38H31NO5/c1-24-13-17-28(18-14-24)33(40)22-32-35(36(41)31-21-29-11-7-8-12-34(29)44-37(31)42)26(3)39(23-27-9-5-4-6-10-27)38(32,43)30-19-15-25(2)16-20-30/h4-22,43H,23H2,1-3H3/b32-22-
InChIKey UALLZFRGYXTATI-JDCMOKTRSA-N
Literature Reference DOI 10.1002/hlca.201200216
Molecular Weight 581.668 g/mol
SMILES OC1(c2ccc(cc2)C)N(Cc2ccccc2)C(=C(C(C=2C(=O)Oc3ccccc3C2)=O)\C1=C/C(=O)c1ccc(cc1)C)C
SPLASH splash10-0hga-4297150000-9e3c4f948bdc2f3db4df
Source of Spectrum H-96-476-4c
Wiley ID 1784677