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3-[(4Z)-4-(3-ethoxy-5-iodo-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
SpectraBase Compound ID KdLVf2pVtmi
InChI InChI=1S/C23H23IN2O5/c1-4-9-31-21-19(24)11-15(12-20(21)30-5-2)10-18-14(3)25-26(22(18)27)17-8-6-7-16(13-17)23(28)29/h6-8,10-13H,4-5,9H2,1-3H3,(H,28,29)/b18-10-
InChIKey DFAYIPMLRBKMFC-ZDLGFXPLSA-N
Mol Weight 534.35 g/mol
Molecular Formula C23H23IN2O5
Exact Mass 534.065167 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 271r0gSEIDv
Name 3-[(4Z)-4-(3-ethoxy-5-iodo-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
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/C23H23IN2O5/c1-4-9-31-21-19(24)11-15(12-20(21)30-5-2)10-18-14(3)25-26(22(18)27)17-8-6-7-16(13-17)23(28)29/h6-8,10-13H,4-5,9H2,1-3H3,(H,28,29)/b18-10-
InChIKey DFAYIPMLRBKMFC-ZDLGFXPLSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6065
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: UZI/8178108; UBI_ID: UBI-006067
Synonyms 3-[4-(3-ethoxy-5-iodo-4-propoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Temperature 308 °C