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ethyl 4-{3-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
SpectraBase Compound ID HtYKc5k6Ybq
InChI InChI=1S/C38H31N3O5/c1-4-46-37(44)28-16-19-30(20-17-28)40-33(26-11-7-5-8-12-26)23-29(34(40)27-13-9-6-10-14-27)22-32-35(42)39-38(45)41(36(32)43)31-18-15-24(2)25(3)21-31/h5-23H,4H2,1-3H3,(H,39,42,45)/b32-22+
InChIKey FDMLXFYGTMVSNW-WEMUVCOSSA-N
Mol Weight 609.7 g/mol
Molecular Formula C38H31N3O5
Exact Mass 609.226371 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KFPvsVZv6R4
Name ethyl 4-{3-[(E)-(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C38H31N3O5/c1-4-46-37(44)28-16-19-30(20-17-28)40-33(26-11-7-5-8-12-26)23-29(34(40)27-13-9-6-10-14-27)22-32-35(42)39-38(45)41(36(32)43)31-18-15-24(2)25(3)21-31/h5-23H,4H2,1-3H3,(H,39,42,45)/b32-22+
InChIKey FDMLXFYGTMVSNW-WEMUVCOSSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11255
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 1003313; UBI_ID: UBI-011258
Synonyms ethyl 4-{3-[(1-(3,4-dimethylphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2,5-diphenyl-1H-pyrrol-1-yl}benzoate
Temperature 308 °C