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1-{[2-(trifluoromethyl)phenyl]sulfonyl}azepane
SpectraBase Compound ID aD0EiACJrQ
InChI InChI=1S/C13H16F3NO2S/c14-13(15,16)11-7-3-4-8-12(11)20(18,19)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey LWBOXKMJOXFAHZ-UHFFFAOYSA-N
Mol Weight 307.33 g/mol
Molecular Formula C13H16F3NO2S
Exact Mass 307.085384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 90nrjNpnKnN
Name 1-{[2-(trifluoromethyl)phenyl]sulfonyl}azepane
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 307.085384420 u
Formula C13H16F3NO2S
InChI InChI=1S/C13H16F3NO2S/c14-13(15,16)11-7-3-4-8-12(11)20(18,19)17-9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-10H2
InChIKey LWBOXKMJOXFAHZ-UHFFFAOYSA-N
Molecular Weight 307.331 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_2635
Solvent DMSO-d6
Source Vendor ID: NMR/12279735