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4-piperidinecarboxylic acid, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
SpectraBase Compound ID BssLOONyko8
InChI InChI=1S/C13H13F3N2O4/c14-13(15,16)9-1-2-10(11(7-9)18(21)22)17-5-3-8(4-6-17)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKey XBGKHDVIWHAVTQ-UHFFFAOYSA-N
Mol Weight 318.25 g/mol
Molecular Formula C13H13F3N2O4
Exact Mass 318.082741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EUKAohV3jjy
Name 4-piperidinecarboxylic acid, 1-[2-nitro-4-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 318.082741392 u
Formula C13H13F3N2O4
InChI InChI=1S/C13H13F3N2O4/c14-13(15,16)9-1-2-10(11(7-9)18(21)22)17-5-3-8(4-6-17)12(19)20/h1-2,7-8H,3-6H2,(H,19,20)
InChIKey XBGKHDVIWHAVTQ-UHFFFAOYSA-N
Molecular Weight 318.252 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5944
Solvent DMSO-d6
Source Vendor ID: NMR/9244616; Lab Info: LP; Lab Number: LP-1401631