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1H-isoindol-1-one, 2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-3-[[2-(trifluoromethyl)phenyl]amino]-
SpectraBase Compound ID 4MJ32sIhI95
InChI InChI=1S/C23H17F3N2O3/c24-23(25,26)17-7-3-4-8-18(17)27-21-15-5-1-2-6-16(15)22(29)28(21)12-14-9-10-19-20(11-14)31-13-30-19/h1-11,21,27H,12-13H2
InChIKey JRFQRMWCJAAGRO-UHFFFAOYSA-N
Mol Weight 426.4 g/mol
Molecular Formula C23H17F3N2O3
Exact Mass 426.119127 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2PMfWvRt3Xl
Name 1H-isoindol-1-one, 2-(1,3-benzodioxol-5-ylmethyl)-2,3-dihydro-3-[[2-(trifluoromethyl)phenyl]amino]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.119126901 u
Formula C23H17F3N2O3
InChI InChI=1S/C23H17F3N2O3/c24-23(25,26)17-7-3-4-8-18(17)27-21-15-5-1-2-6-16(15)22(29)28(21)12-14-9-10-19-20(11-14)31-13-30-19/h1-11,21,27H,12-13H2
InChIKey JRFQRMWCJAAGRO-UHFFFAOYSA-N
Molecular Weight 426.395 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_1822
Solvent DMSO-d6
Source Vendor ID: NMR/12679798
Temperature 29.85 °C