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(6Z)-6-{[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

View entire compound with spectra: 1 NMR

(6Z)-6-{[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID 2DjfabnPwj7
InChI InChI=1S/C22H18BrN5O4S/c23-17-10-13(28(30)31)6-8-15(17)18-9-7-14(32-18)11-16-19(24)27-22(25-20(16)29)33-21(26-27)12-4-2-1-3-5-12/h6-12,24H,1-5H2/b16-11-,24-19?
InChIKey ZHUFWJOAKNSJCM-MLDLNWIHSA-N
Mol Weight 528.38 g/mol
Molecular Formula C22H18BrN5O4S
Exact Mass 527.026288 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AO9YRkHKYws
Name (6Z)-6-{[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}-2-cyclohexyl-5-imino-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/C22H18BrN5O4S/c23-17-10-13(28(30)31)6-8-15(17)18-9-7-14(32-18)11-16-19(24)27-22(25-20(16)29)33-21(26-27)12-4-2-1-3-5-12/h6-12,24H,1-5H2/b16-11-,24-19?
InChIKey ZHUFWJOAKNSJCM-MLDLNWIHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6631
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: 63019; UBI_ID: UBI-006633
Synonyms 6-{[5-(2-bromo-4-nitrophenyl)-2-furyl]methylene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 315 °C