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acetamide, N-[4-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylene]-2-imino-4-oxothiazolidinyl]-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID 3ES5y1iyHpn
InChI InChI=1S/C18H11ClN6O6S/c1-8(26)21-15-16(23-31-22-15)24-17(27)14(32-18(24)20)7-10-3-5-13(30-10)9-2-4-11(19)12(6-9)25(28)29/h2-7,20H,1H3,(H,21,22,26)/b14-7+,20-18?
InChIKey BHJAIPMGIWMDLW-HIRNQZIFSA-N
Mol Weight 474.84 g/mol
Molecular Formula C18H11ClN6O6S
Exact Mass 474.014931 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGDqvyEFpGE
Name acetamide, N-[4-[(5E)-5-[[5-(4-chloro-3-nitrophenyl)-2-furanyl]methylene]-2-imino-4-oxothiazolidinyl]-1,2,5-oxadiazol-3-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 474.014930966 u
Formula C18H11ClN6O6S
InChI InChI=1S/C18H11ClN6O6S/c1-8(26)21-15-16(23-31-22-15)24-17(27)14(32-18(24)20)7-10-3-5-13(30-10)9-2-4-11(19)12(6-9)25(28)29/h2-7,20H,1H3,(H,21,22,26)/b14-7+,20-18?
InChIKey BHJAIPMGIWMDLW-HIRNQZIFSA-N
Molecular Weight 474.835 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17726
Solvent DMSO-d6
Source Vendor ID: NMR/10310675; Lab Info: SAD; Lab Number: 105