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4-(([1-(4-Chlorophenyl)-1H-tetraazol-5-yl]sulfanyl)methyl)phenyl 1,1,2,2-tetrafluoroethyl ether
SpectraBase Compound ID 1nBWS0Z4TLC
InChI InChI=1S/C16H11ClF4N4OS/c17-11-3-5-12(6-4-11)25-15(22-23-24-25)27-9-10-1-7-13(8-2-10)26-16(20,21)14(18)19/h1-8,14H,9H2
InChIKey XOJXKSPIHQEDKC-UHFFFAOYSA-N
Mol Weight 418.8 g/mol
Molecular Formula C16H11ClF4N4OS
Exact Mass 418.027823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 30hOVLLqvOb
Name 1H-tetrazole, 1-(4-chlorophenyl)-5-[[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]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 418.027822515 u
Formula C16H11ClF4N4OS
InChI InChI=1S/C16H11ClF4N4OS/c17-11-3-5-12(6-4-11)25-15(22-23-24-25)27-9-10-1-7-13(8-2-10)26-16(20,21)14(18)19/h1-8,14H,9H2
InChIKey XOJXKSPIHQEDKC-UHFFFAOYSA-N
Molecular Weight 418.798 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10838
Solvent DMSO-d6
Source Vendor ID: NMR/10261092; Lab Info: LP; Lab Number: LP-2100834