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2-(3-(trifluoromethyl)phenyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
SpectraBase Compound ID 2LSSdSRytmJ
InChI InChI=1S/C21H14F3NO3/c22-21(23,24)10-4-3-5-11(8-10)25-19(27)17-14-9-15(26)16(18(17)20(25)28)13-7-2-1-6-12(13)14/h1-8,14,16-18H,9H2/t14-,16-,17-,18+/m1/s1
InChIKey XVNWHYCHGXRDLO-DDBAPUKQSA-N
Mol Weight 385.34 g/mol
Molecular Formula C21H14F3NO3
Exact Mass 385.092578 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8DmndZ8vS45
Name 2-(3-(trifluoromethyl)phenyl)-3a,4,9,9a-tetrahydro-1H-4,9-ethanobenzo[f]isoindole-1,3,10(2H)-trione
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/C21H14F3NO3/c22-21(23,24)10-4-3-5-11(8-10)25-19(27)17-14-9-15(26)16(18(17)20(25)28)13-7-2-1-6-12(13)14/h1-8,14,16-18H,9H2/t14-,16-,17-,18+/m1/s1
InChIKey XVNWHYCHGXRDLO-DDBAPUKQSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_8516_6274
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: ZI/6066878; Labnumber: LD-040088; IOH_ID: IOH-013277
Temperature 303 °C