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acetamide, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID JCRV5qvsgLn
InChI InChI=1S/C16H11ClF3N5OS/c17-10-5-7-11(8-6-10)25-15(22-23-24-25)27-9-14(26)21-13-4-2-1-3-12(13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKey VRFKZJHZPWCKQH-UHFFFAOYSA-N
Mol Weight 413.81 g/mol
Molecular Formula C16H11ClF3N5OS
Exact Mass 413.032493 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Hv5aRj2G0Jj
Name acetamide, 2-[[1-(4-chlorophenyl)-1H-tetrazol-5-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 413.032493356 u
Formula C16H11ClF3N5OS
InChI InChI=1S/C16H11ClF3N5OS/c17-10-5-7-11(8-6-10)25-15(22-23-24-25)27-9-14(26)21-13-4-2-1-3-12(13)16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKey VRFKZJHZPWCKQH-UHFFFAOYSA-N
Molecular Weight 413.806 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11749
Solvent DMSO-d6
Source Vendor ID: NMR/10271517; Lab Info: SAD; Lab Number: SAD-1472180