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1H-indole-2-carboxylic acid, 3-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-6-methoxy-, methyl ester
SpectraBase Compound ID CLLridML8WK
InChI InChI=1S/C21H22N2O4S2/c1-26-13-8-9-14-15(18(20(25)27-2)22-16(14)10-13)11-17-19(24)23(21(28)29-17)12-6-4-3-5-7-12/h8-12,22H,3-7H2,1-2H3/b17-11+
InChIKey YTPJMCYPGCMNGP-GZTJUZNOSA-N
Mol Weight 430.54 g/mol
Molecular Formula C21H22N2O4S2
Exact Mass 430.1021 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HXWprVvdzDy
Name 1H-indole-2-carboxylic acid, 3-[(E)-(3-cyclohexyl-4-oxo-2-thioxo-5-thiazolidinylidene)methyl]-6-methoxy-, methyl ester
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/C21H22N2O4S2/c1-26-13-8-9-14-15(18(20(25)27-2)22-16(14)10-13)11-17-19(24)23(21(28)29-17)12-6-4-3-5-7-12/h8-12,22H,3-7H2,1-2H3/b17-11+
InChIKey YTPJMCYPGCMNGP-GZTJUZNOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_9008
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: F33974; Labnumber: EXGOR1-19281