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3-pyridinemethanaminium, N-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]-, chloride
SpectraBase Compound ID LEMLq6LTrUD
InChI InChI=1S/C15H14F3N3O2.ClH/c16-15(17,18)23-13-5-3-12(4-6-13)21-14(22)10-20-9-11-2-1-7-19-8-11;/h1-8,20H,9-10H2,(H,21,22);1H
InChIKey WQAWBCUXQGPXIC-UHFFFAOYSA-N
Mol Weight 361.75 g/mol
Molecular Formula C15H15ClF3N3O2
Exact Mass 361.080489 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JAwEw74BU8f
Name 3-pyridinemethanaminium, N-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 361.080488922 u
Formula C15H15ClF3N3O2
InChI InChI=1S/C15H14F3N3O2.ClH/c16-15(17,18)23-13-5-3-12(4-6-13)21-14(22)10-20-9-11-2-1-7-19-8-11;/h1-8,20H,9-10H2,(H,21,22);1H
InChIKey WQAWBCUXQGPXIC-UHFFFAOYSA-N
Molecular Weight 361.752 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13323
Solvent DMSO-d6
Source Vendor ID: NMR/10270101; Lab Info: KTS; Lab Number: KTS-0000033