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1H-isoindole-2-acetic acid, alpha-[[4-[[(2Z)-2-(acetylamino)-3-[4-(difluoromethoxy)phenyl]-1-oxo-2-propenyl]amino]phenyl]methyl]-2,3-dihydro-1,3-dioxo-, ethyl ester
SpectraBase Compound ID DQGYSJ09qtg
InChI InChI=1S/C31H27F2N3O7/c1-3-42-30(41)26(36-28(39)23-6-4-5-7-24(23)29(36)40)17-20-8-12-21(13-9-20)35-27(38)25(34-18(2)37)16-19-10-14-22(15-11-19)43-31(32)33/h4-16,26,31H,3,17H2,1-2H3,(H,34,37)(H,35,38)/b25-16-
InChIKey RWYOGUUXXJEXSI-XYGWBWBKSA-N
Mol Weight 591.57 g/mol
Molecular Formula C31H27F2N3O7
Exact Mass 591.181707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6T0ALWzzXTp
Name 1H-isoindole-2-acetic acid, alpha-[[4-[[(2Z)-2-(acetylamino)-3-[4-(difluoromethoxy)phenyl]-1-oxo-2-propenyl]amino]phenyl]methyl]-2,3-dihydro-1,3-dioxo-, ethyl ester
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/C31H27F2N3O7/c1-3-42-30(41)26(36-28(39)23-6-4-5-7-24(23)29(36)40)17-20-8-12-21(13-9-20)35-27(38)25(34-18(2)37)16-19-10-14-22(15-11-19)43-31(32)33/h4-16,26,31H,3,17H2,1-2H3,(H,34,37)(H,35,38)/b25-16-
InChIKey RWYOGUUXXJEXSI-XYGWBWBKSA-N
NMR Offset 14.5102
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_1172
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/6022512; Labnumber: LFG-11; IOH_ID: IOH-008174
Temperature 297 °C