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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-cyclohexyl-6-[[1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl]methylene]-5,6-dihydro-5-imino-, (6Z)-
SpectraBase Compound ID C2rksqfyFCn
InChI InChI=1S/C30H31N5O2S/c1-19-12-13-26(20(2)16-19)37-15-14-34-18-22(23-10-6-7-11-25(23)34)17-24-27(31)35-30(32-28(24)36)38-29(33-35)21-8-4-3-5-9-21/h6-7,10-13,16-18,21,31H,3-5,8-9,14-15H2,1-2H3/b24-17-,31-27?
InChIKey TWDMCAVFHGKNES-IRCMEVCOSA-N
Mol Weight 525.67 g/mol
Molecular Formula C30H31N5O2S
Exact Mass 525.219846 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FoPrZS0oiR8
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-cyclohexyl-6-[[1-[2-(2,4-dimethylphenoxy)ethyl]-1H-indol-3-yl]methylene]-5,6-dihydro-5-imino-, (6Z)-
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/C30H31N5O2S/c1-19-12-13-26(20(2)16-19)37-15-14-34-18-22(23-10-6-7-11-25(23)34)17-24-27(31)35-30(32-28(24)36)38-29(33-35)21-8-4-3-5-9-21/h6-7,10-13,16-18,21,31H,3-5,8-9,14-15H2,1-2H3/b24-17-,31-27?
InChIKey TWDMCAVFHGKNES-IRCMEVCOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_281
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: NMR/10318774