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(6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID ByypAYZnYca
InChI InChI=1S/C18H15N5OS/c1-11-8-13(12(2)22(11)14-6-4-3-5-7-14)9-15-16(19)23-18(21-17(15)24)25-10-20-23/h3-10,19H,1-2H3/b15-9+,19-16?
InChIKey GAPZZBYWHAJLAV-NFHCXAAFSA-N
Mol Weight 349.41 g/mol
Molecular Formula C18H15N5OS
Exact Mass 349.099731 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IP6nV1AlENF
Name (6E)-6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-5-imino-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/C18H15N5OS/c1-11-8-13(12(2)22(11)14-6-4-3-5-7-14)9-15-16(19)23-18(21-17(15)24)25-10-20-23/h3-10,19H,1-2H3/b15-9+,19-16?
InChIKey GAPZZBYWHAJLAV-NFHCXAAFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28152
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: D80510; Labnumber: CEP4-0605; SBI_ID: SBI-028156
Synonyms 6-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 318 °C