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(6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID L1fkHyfKXvK
InChI InChI=1S/C26H23N5O3S/c1-16-12-18(17(2)30(16)19-8-7-11-21(14-19)33-3)13-22-24(27)31-26(28-25(22)32)35-23(29-31)15-34-20-9-5-4-6-10-20/h4-14,27H,15H2,1-3H3/b22-13+,27-24?
InChIKey OESBMBLEMMIUGU-VXWJBAAHSA-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 5Ghbob66EeA
Name (6E)-5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(phenoxymethyl)-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/c1-16-12-18(17(2)30(16)19-8-7-11-21(14-19)33-3)13-22-24(27)31-26(28-25(22)32)35-23(29-31)15-34-20-9-5-4-6-10-20/h4-14,27H,15H2,1-3H3/b22-13+,27-24?
InChIKey OESBMBLEMMIUGU-VXWJBAAHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4185
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: E01095; Labnumber: CEP4-1762; SBI_ID: SBI-004187
Synonyms 5-imino-6-{[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-(phenoxymethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C