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1-Azepanyl-(3,4-difluorophenyl)methanone

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1-Azepanyl-(3,4-difluorophenyl)methanone
SpectraBase Compound ID ImcmO1P5UQ0
InChI InChI=1S/C13H15F2NO/c14-11-6-5-10(9-12(11)15)13(17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2
InChIKey CHWZUXSUNJTJNH-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C13H15F2NO
Exact Mass 239.11217 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9G8eCDsZexv
Name 1H-azepine, 1-(3,4-difluorobenzoyl)hexahydro-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 239.112170432 u
Formula C13H15F2NO
InChI InChI=1S/C13H15F2NO/c14-11-6-5-10(9-12(11)15)13(17)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2
InChIKey CHWZUXSUNJTJNH-UHFFFAOYSA-N
Molecular Weight 239.266 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12042
Solvent DMSO-d6
Source Vendor ID: NMR/10271827; Lab Info: LIP; Lab Number: LIP-0001544