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acetamide, N-[4-[(5Z)-5-[[5-(3-chloro-4-fluorophenyl)-2-furanyl]methylene]-2-imino-4-oxothiazolidinyl]-1,2,5-oxadiazol-3-yl]-
SpectraBase Compound ID KXiZ1O0KeFI
InChI InChI=1S/C18H11ClFN5O4S/c1-8(26)22-15-16(24-29-23-15)25-17(27)14(30-18(25)21)7-10-3-5-13(28-10)9-2-4-12(20)11(19)6-9/h2-7,21H,1H3,(H,22,23,26)/b14-7-,21-18?
InChIKey DUYMFNIQLPDWIR-AWXOTJGISA-N
Mol Weight 447.83 g/mol
Molecular Formula C18H11ClFN5O4S
Exact Mass 447.020431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Qu0JTp6vWD
Name acetamide, N-[4-[(5Z)-5-[[5-(3-chloro-4-fluorophenyl)-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 447.020430887 u
Formula C18H11ClFN5O4S
InChI InChI=1S/C18H11ClFN5O4S/c1-8(26)22-15-16(24-29-23-15)25-17(27)14(30-18(25)21)7-10-3-5-13(28-10)9-2-4-12(20)11(19)6-9/h2-7,21H,1H3,(H,22,23,26)/b14-7-,21-18?
InChIKey DUYMFNIQLPDWIR-AWXOTJGISA-N
Molecular Weight 447.828 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16173
Solvent DMSO-d6
Source Vendor ID: NMR/11210055; Lab Info: SAD; Lab Number: 70