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(6E)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID IlkpDJNrWRF
InChI InChI=1S/C23H25N5OS/c1-12(2)22-26-28-20(24)18(21(29)25-23(28)30-22)11-17-10-15(5)27(16(17)6)19-13(3)8-7-9-14(19)4/h7-12,24H,1-6H3/b18-11+,24-20?
InChIKey HWNVGLPTIRYPFR-KKVJOTPGSA-N
Mol Weight 419.55 g/mol
Molecular Formula C23H25N5OS
Exact Mass 419.177982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LOU9oP9Jxd3
Name (6E)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-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/C23H25N5OS/c1-12(2)22-26-28-20(24)18(21(29)25-23(28)30-22)11-17-10-15(5)27(16(17)6)19-13(3)8-7-9-14(19)4/h7-12,24H,1-6H3/b18-11+,24-20?
InChIKey HWNVGLPTIRYPFR-KKVJOTPGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4144
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: E01046; Labnumber: CEP4-0902; SBI_ID: SBI-004146
Synonyms 6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-isopropyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C