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(6E)-6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID Jz7LoJC9dVM
InChI InChI=1S/C26H23N5O3S/c1-15-12-18(16(2)30(15)21-11-10-19(33-3)14-22(21)34-4)13-20-23(27)31-26(28-24(20)32)35-25(29-31)17-8-6-5-7-9-17/h5-14,27H,1-4H3/b20-13+,27-23?
InChIKey VRQIMIJBVCSWBT-XDXPSGJKSA-N
Mol Weight 485.56 g/mol
Molecular Formula C26H23N5O3S
Exact Mass 485.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IJO2Q16Bz1C
Name (6E)-6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-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/C26H23N5O3S/c1-15-12-18(16(2)30(15)21-11-10-19(33-3)14-22(21)34-4)13-20-23(27)31-26(28-24(20)32)35-25(29-31)17-8-6-5-7-9-17/h5-14,27H,1-4H3/b20-13+,27-23?
InChIKey VRQIMIJBVCSWBT-XDXPSGJKSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4184
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: E01094; Labnumber: CEP4-1759; SBI_ID: SBI-004186
Synonyms 6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-phenyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C