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4-oxo-3-[3-(trifluoromethyl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
SpectraBase Compound ID 9mP88pLoQi5
InChI InChI=1S/C16H12F3NO4/c17-16(18,19)8-2-1-3-9(6-8)20-7-15-5-4-10(24-15)11(14(22)23)12(15)13(20)21/h1-6,10-12H,7H2,(H,22,23)/t10-,11-,12+,15-/m1/s1
InChIKey LAAHNNVDJMNWOR-MCYUEQNJSA-N
Mol Weight 339.27 g/mol
Molecular Formula C16H12F3NO4
Exact Mass 339.071842 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DZgJr6inyMX
Name 4-oxo-3-[3-(trifluoromethyl)phenyl]-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12F3NO4/c17-16(18,19)8-2-1-3-9(6-8)20-7-15-5-4-10(24-15)11(14(22)23)12(15)13(20)21/h1-6,10-12H,7H2,(H,22,23)/t10-,11-,12+,15-/m1/s1
InChIKey LAAHNNVDJMNWOR-MCYUEQNJSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10420
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D79749; Labnumber: LGVRSB-0496; SBI_ID: SBI-010423
Temperature 315 °C