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1H-isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-2-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID AOO9JPLNYKa
InChI InChI=1S/C16H10F3NO3/c17-16(18,19)10-4-2-5-11(7-10)20-8-9-3-1-6-12(15(22)23)13(9)14(20)21/h1-7H,8H2,(H,22,23)
InChIKey UXSWDXQOTCKQJK-UHFFFAOYSA-N
Mol Weight 321.26 g/mol
Molecular Formula C16H10F3NO3
Exact Mass 321.061278 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1HV1U2i3X0F
Name 1H-isoindole-4-carboxylic acid, 2,3-dihydro-3-oxo-2-[3-(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 321.061277672 u
Formula C16H10F3NO3
InChI InChI=1S/C16H10F3NO3/c17-16(18,19)10-4-2-5-11(7-10)20-8-9-3-1-6-12(15(22)23)13(9)14(20)21/h1-7H,8H2,(H,22,23)
InChIKey UXSWDXQOTCKQJK-UHFFFAOYSA-N
Molecular Weight 321.255 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_7636
Solvent DMSO-d6
Source Vendor ID: NMR/13300978; Lab Info: VAL; Lab Number: BB_11_03_02