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acetamide, N-[(2E,5E)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]-1H-indol-3-yl]methylene]-4-oxothiazolidinylidene]-
SpectraBase Compound ID IUdzWwNJFzJ
InChI InChI=1S/C21H15ClFN3O2S/c1-12(27)24-21-25-20(28)19(29-21)8-14-11-26(18-5-3-2-4-16(14)18)10-13-6-7-15(23)9-17(13)22/h2-9,11H,10H2,1H3,(H,24,25,27,28)/b19-8+
InChIKey OHAPAJRYHRWMNG-UFWORHAWSA-N
Mol Weight 427.88 g/mol
Molecular Formula C21H15ClFN3O2S
Exact Mass 427.055754 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 36QXAEmESYM
Name acetamide, N-[(2E,5E)-5-[[1-[(2-chloro-4-fluorophenyl)methyl]-1H-indol-3-yl]methylene]-4-oxothiazolidinylidene]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.055753770 u
Formula C21H15ClFN3O2S
InChI InChI=1S/C21H15ClFN3O2S/c1-12(27)24-21-25-20(28)19(29-21)8-14-11-26(18-5-3-2-4-16(14)18)10-13-6-7-15(23)9-17(13)22/h2-9,11H,10H2,1H3,(H,24,25,27,28)/b19-8+
InChIKey OHAPAJRYHRWMNG-UFWORHAWSA-N
Molecular Weight 427.881 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15106
Solvent DMSO-d6
Source Vendor ID: NMR/10311057; Lab Info: SAD; Lab Number: SAD-002533