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acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
SpectraBase Compound ID HD357vkjSKS
InChI InChI=1S/C17H14ClFN4OS2/c1-2-7-23-16(14-4-3-8-25-14)21-22-17(23)26-10-15(24)20-11-5-6-13(19)12(18)9-11/h2-6,8-9H,1,7,10H2,(H,20,24)
InChIKey DLSCARQYTMSACM-UHFFFAOYSA-N
Mol Weight 408.9 g/mol
Molecular Formula C17H14ClFN4OS2
Exact Mass 408.028159 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E0ovUjcKlex
Name acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(2-propenyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.028159297 u
Formula C17H14ClFN4OS2
InChI InChI=1S/C17H14ClFN4OS2/c1-2-7-23-16(14-4-3-8-25-14)21-22-17(23)26-10-15(24)20-11-5-6-13(19)12(18)9-11/h2-6,8-9H,1,7,10H2,(H,20,24)
InChIKey DLSCARQYTMSACM-UHFFFAOYSA-N
Molecular Weight 408.897 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_18253
Solvent DMSO-d6
Source Vendor ID: NMR/11210049; Lab Info: SAD; Lab Number: 64