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benzoic acid, 2-chloro-5-[(4Z)-4,5-dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-

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benzoic acid, 2-chloro-5-[(4Z)-4,5-dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
SpectraBase Compound ID APa92KhHC5O
InChI InChI=1S/C26H21ClN2O5/c1-16-20(25(30)29(28-16)19-9-10-22(27)21(14-19)26(31)32)12-18-8-11-23(24(13-18)33-2)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b20-12-
InChIKey XBWJYBWQCRGWCO-NDENLUEZSA-N
Mol Weight 476.92 g/mol
Molecular Formula C26H21ClN2O5
Exact Mass 476.113899 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9JEEoHfDkOo
Name benzoic acid, 2-chloro-5-[(4Z)-4,5-dihydro-4-[[3-methoxy-4-(phenylmethoxy)phenyl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 476.113899479 u
Formula C26H21ClN2O5
InChI InChI=1S/C26H21ClN2O5/c1-16-20(25(30)29(28-16)19-9-10-22(27)21(14-19)26(31)32)12-18-8-11-23(24(13-18)33-2)34-15-17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,31,32)/b20-12-
InChIKey XBWJYBWQCRGWCO-NDENLUEZSA-N
Molecular Weight 476.916 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_958
Solvent DMSO-d6
Source Vendor ID: ZI/7118355; Lab Info: SAD; Lab Number: SAD-r000027