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2-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SpectraBase Compound ID AhOuwBDVlGZ
InChI InChI=1S/C32H28N2O3S/c1-18-12-14-22(15-13-18)33-31(37)28-25-10-6-7-11-27(25)38-32(28)34-19(2)16-21(20(34)3)17-26-29(35)23-8-4-5-9-24(23)30(26)36/h4-5,8-9,12-17H,6-7,10-11H2,1-3H3,(H,33,37)
InChIKey FXVSHYFMPCUUFW-UHFFFAOYSA-N
Mol Weight 520.6 g/mol
Molecular Formula C32H28N2O3S
Exact Mass 520.182064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6FUrBJevx46
Name 2-{3-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}-N-(4-methylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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/C32H28N2O3S/c1-18-12-14-22(15-13-18)33-31(37)28-25-10-6-7-11-27(25)38-32(28)34-19(2)16-21(20(34)3)17-26-29(35)23-8-4-5-9-24(23)30(26)36/h4-5,8-9,12-17H,6-7,10-11H2,1-3H3,(H,33,37)
InChIKey FXVSHYFMPCUUFW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_749
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: /VSVE0061182; UBI_ID: UBI-000750
Temperature 308 °C