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4-({4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
SpectraBase Compound ID 3X1H9ka0sbg
InChI InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-5,7-17H,2,6,18H2,1H3,(H,31,32)/b24-17+
InChIKey JQFHVIXDOTUIRX-JJIBRWJFSA-N
Mol Weight 440.5 g/mol
Molecular Formula C27H24N2O4
Exact Mass 440.173607 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DzXJBvnAj1
Name 4-({4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}methyl)benzoic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.173607257 u
Formula C27H24N2O4
InChI InChI=1S/C27H24N2O4/c1-2-6-25-24(26(30)29(28-25)22-7-4-3-5-8-22)17-19-11-15-23(16-12-19)33-18-20-9-13-21(14-10-20)27(31)32/h3-5,7-17H,2,6,18H2,1H3,(H,31,32)/b24-17+
InChIKey JQFHVIXDOTUIRX-JJIBRWJFSA-N
Molecular Weight 440.499 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_1152
Solvent DMSO-d6
Source Vendor ID: NMR/12269254