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(6E)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID KhFQYzWkRIj
InChI InChI=1S/C24H27N5OS/c1-6-17-7-9-19(10-8-17)28-15(4)12-18(16(28)5)13-20-22(25)29-24(26-23(20)30)31-21(27-29)11-14(2)3/h7-10,12-14,25H,6,11H2,1-5H3/b20-13+,25-22?
InChIKey ZTMMVYIGNQPLLY-RLPJPJOASA-N
Mol Weight 433.57 g/mol
Molecular Formula C24H27N5OS
Exact Mass 433.193632 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5307jZhPnij
Name (6E)-6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-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/C24H27N5OS/c1-6-17-7-9-19(10-8-17)28-15(4)12-18(16(28)5)13-20-22(25)29-24(26-23(20)30)31-21(27-29)11-14(2)3/h7-10,12-14,25H,6,11H2,1-5H3/b20-13+,25-22?
InChIKey ZTMMVYIGNQPLLY-RLPJPJOASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4150
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: E01054; Labnumber: CEP4-1047; SBI_ID: SBI-004152
Synonyms 6-{[1-(4-ethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isobutyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C