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(6E)-5-imino-2-isobutyl-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID Ad4SsSjK1Nk
InChI InChI=1S/C24H27N5O2S/c1-13(2)9-21-27-29-22(25)18(23(30)26-24(29)32-21)12-17-11-15(4)28(16(17)5)19-10-14(3)7-8-20(19)31-6/h7-8,10-13,25H,9H2,1-6H3/b18-12+,25-22?
InChIKey PPJAODHIZIXASU-JKGLIZDUSA-N
Mol Weight 449.57 g/mol
Molecular Formula C24H27N5O2S
Exact Mass 449.188546 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8VMtNhdKZWG
Name (6E)-5-imino-2-isobutyl-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-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/C24H27N5O2S/c1-13(2)9-21-27-29-22(25)18(23(30)26-24(29)32-21)12-17-11-15(4)28(16(17)5)19-10-14(3)7-8-20(19)31-6/h7-8,10-13,25H,9H2,1-6H3/b18-12+,25-22?
InChIKey PPJAODHIZIXASU-JKGLIZDUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4159
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: E01064; Labnumber: CEP4-1224; SBI_ID: SBI-004161
Synonyms 5-imino-2-isobutyl-6-{[1-(2-methoxy-5-methylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C