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2-{[1-(2-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
SpectraBase Compound ID HU9UdPe6MvK
InChI InChI=1S/C16H11ClF3N5O2S/c17-12-3-1-2-4-13(12)25-15(22-23-24-25)28-9-14(26)21-10-5-7-11(8-6-10)27-16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKey WKGQSDPWUHCTTB-UHFFFAOYSA-N
Mol Weight 429.81 g/mol
Molecular Formula C16H11ClF3N5O2S
Exact Mass 429.027408 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GfyBwZWFWo2
Name 2-{[1-(2-chlorophenyl)-1H-tetraazol-5-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.027407975 u
Formula C16H11ClF3N5O2S
InChI InChI=1S/C16H11ClF3N5O2S/c17-12-3-1-2-4-13(12)25-15(22-23-24-25)28-9-14(26)21-10-5-7-11(8-6-10)27-16(18,19)20/h1-8H,9H2,(H,21,26)
InChIKey WKGQSDPWUHCTTB-UHFFFAOYSA-N
Molecular Weight 429.805 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2989
Solvent DMSO-d6
Source Vendor ID: NMR/12260259; Lab Info: SAD; Lab Number: SAD-0205156