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(6E)-2-(1-ethylpropyl)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID CEaoURxvaNy
InChI InChI=1S/C27H27N5OS/c1-4-18(5-2)26-30-32-24(28)22(25(33)29-27(32)34-26)14-20-16-31(23-13-9-8-12-21(20)23)15-19-11-7-6-10-17(19)3/h6-14,16,18,28H,4-5,15H2,1-3H3/b22-14+,28-24?
InChIKey DZANNLYJBFSQEL-QRPNVLAJSA-N
Mol Weight 469.61 g/mol
Molecular Formula C27H27N5OS
Exact Mass 469.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HLWDTaV4tVy
Name (6E)-2-(1-ethylpropyl)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
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/C27H27N5OS/c1-4-18(5-2)26-30-32-24(28)22(25(33)29-27(32)34-26)14-20-16-31(23-13-9-8-12-21(20)23)15-19-11-7-6-10-17(19)3/h6-14,16,18,28H,4-5,15H2,1-3H3/b22-14+,28-24?
InChIKey DZANNLYJBFSQEL-QRPNVLAJSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25861
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: D61681; Labnumber: CEP4-3714; SBI_ID: SBI-025865
Synonyms 2-(1-ethylpropyl)-5-imino-6-{[1-(2-methylbenzyl)-1H-indol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C