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ethyl 3-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
SpectraBase Compound ID Kk0pMKwx5KQ
InChI InChI=1S/C26H25N3O3/c1-5-32-26(31)20-10-9-13-23(15-20)28-17(2)14-21(19(28)4)16-24-18(3)27-29(25(24)30)22-11-7-6-8-12-22/h6-16H,5H2,1-4H3/b24-16+
InChIKey NPAFLOKDLZQKPK-LFVJCYFKSA-N
Mol Weight 427.5 g/mol
Molecular Formula C26H25N3O3
Exact Mass 427.189592 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E3ZF3pieQuA
Name ethyl 3-{2,5-dimethyl-3-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C26H25N3O3/c1-5-32-26(31)20-10-9-13-23(15-20)28-17(2)14-21(19(28)4)16-24-18(3)27-29(25(24)30)22-11-7-6-8-12-22/h6-16H,5H2,1-4H3/b24-16+
InChIKey NPAFLOKDLZQKPK-LFVJCYFKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11436
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: 1003485; UBI_ID: UBI-011439
Synonyms ethyl 3-{2,5-dimethyl-3-[(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]-1H-pyrrol-1-yl}benzoate
Temperature 308 °C