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7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-5,6-dihydro-5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl]methylene]-, (6Z)-
SpectraBase Compound ID HTAOQr8fYU2
InChI InChI=1S/C27H27N5O3S/c1-3-4-13-24-30-32-25(28)20(26(33)29-27(32)36-24)16-18-17-31(21-10-6-5-9-19(18)21)14-15-35-23-12-8-7-11-22(23)34-2/h5-12,16-17,28H,3-4,13-15H2,1-2H3/b20-16-,28-25?
InChIKey QQSQPVYHPZMAGB-MDHMIDBASA-N
Mol Weight 501.61 g/mol
Molecular Formula C27H27N5O3S
Exact Mass 501.183461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 71UH5MyAFbw
Name 7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-5,6-dihydro-5-imino-6-[[1-[2-(2-methoxyphenoxy)ethyl]-1H-indol-3-yl]methylene]-, (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/C27H27N5O3S/c1-3-4-13-24-30-32-25(28)20(26(33)29-27(32)36-24)16-18-17-31(21-10-6-5-9-19(18)21)14-15-35-23-12-8-7-11-22(23)34-2/h5-12,16-17,28H,3-4,13-15H2,1-2H3/b20-16-,28-25?
InChIKey QQSQPVYHPZMAGB-MDHMIDBASA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2514
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/11269171