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4-[(3-{(E)-[(2E)-3-cyclopentyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
SpectraBase Compound ID rC1nr0hF05
InChI InChI=1S/C31H26N4OS/c32-19-22-14-16-23(17-15-22)20-34-21-24(27-12-6-7-13-28(27)34)18-29-30(36)35(26-10-4-5-11-26)31(37-29)33-25-8-2-1-3-9-25/h1-3,6-9,12-18,21,26H,4-5,10-11,20H2/b29-18+,33-31+
InChIKey LVDVROSDUPQKLX-ODQIEXEOSA-N
Mol Weight 502.64 g/mol
Molecular Formula C31H26N4OS
Exact Mass 502.182733 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3Y2FeAvJJt4
Name 4-[(3-{(E)-[(2E)-3-cyclopentyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
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/C31H26N4OS/c32-19-22-14-16-23(17-15-22)20-34-21-24(27-12-6-7-13-28(27)34)18-29-30(36)35(26-10-4-5-11-26)31(37-29)33-25-8-2-1-3-9-25/h1-3,6-9,12-18,21,26H,4-5,10-11,20H2/b29-18+,33-31+
InChIKey LVDVROSDUPQKLX-ODQIEXEOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1984
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: 9311250; UBI_ID: UBI-001985
Synonyms 4-[(3-{[3-cyclopentyl-4-oxo-2-(phenylimino)-1,3-thiazolidin-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
Temperature 308 °C