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benzo[b]thiophene-3-carbonitrile, 2-(5-benzoyl-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4,5,6,7-tetrahydro-6-methyl-
SpectraBase Compound ID DH14xGTlPSN
InChI InChI=1S/C25H18N2O3S/c1-14-7-9-17-20(13-26)25(31-21(17)11-14)27-23(29)18-10-8-16(12-19(18)24(27)30)22(28)15-5-3-2-4-6-15/h2-6,8,10,12,14H,7,9,11H2,1H3
InChIKey RZOJSLFVGBQRGX-UHFFFAOYSA-N
Mol Weight 426.49 g/mol
Molecular Formula C25H18N2O3S
Exact Mass 426.103814 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HAL5zVvYdyC
Name benzo[b]thiophene-3-carbonitrile, 2-(5-benzoyl-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-4,5,6,7-tetrahydro-6-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.103813619 u
Formula C25H18N2O3S
InChI InChI=1S/C25H18N2O3S/c1-14-7-9-17-20(13-26)25(31-21(17)11-14)27-23(29)18-10-8-16(12-19(18)24(27)30)22(28)15-5-3-2-4-6-15/h2-6,8,10,12,14H,7,9,11H2,1H3
InChIKey RZOJSLFVGBQRGX-UHFFFAOYSA-N
Molecular Weight 426.490 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12230
Solvent DMSO-d6
Source Vendor ID: ZI/10028551; Lab Info: AI; Lab Number: AI-0000007