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benzoic acid, 2-nitro-, 2-[(E)-[6-[[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylidene]hydrazide

View entire compound with spectra: 1 NMR

benzoic acid, 2-nitro-, 2-[(E)-[6-[[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylidene]hydrazide
SpectraBase Compound ID HpRWcnDNhkS
InChI InChI=1S/C27H23FN4O8/c1-36-23-19(11-17-12-21(31-40-17)15-7-9-16(28)10-8-15)20(24(37-2)26-25(23)38-14-39-26)13-29-30-27(33)18-5-3-4-6-22(18)32(34)35/h3-10,13,17H,11-12,14H2,1-2H3,(H,30,33)/b29-13+
InChIKey PHECRGMCIUEREO-VFLNYLIXSA-N
Mol Weight 550.5 g/mol
Molecular Formula C27H23FN4O8
Exact Mass 550.149992 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CeLHjDqaHAq
Name benzoic acid, 2-nitro-, 2-[(E)-[6-[[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylidene]hydrazide
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/C27H23FN4O8/c1-36-23-19(11-17-12-21(31-40-17)15-7-9-16(28)10-8-15)20(24(37-2)26-25(23)38-14-39-26)13-29-30-27(33)18-5-3-4-6-22(18)32(34)35/h3-10,13,17H,11-12,14H2,1-2H3,(H,30,33)/b29-13+
InChIKey PHECRGMCIUEREO-VFLNYLIXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_3829
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: NMR/17217317; Labnumber: CIG-0000362