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(6E)-5-imino-6-(3-methylbenzylidene)-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
SpectraBase Compound ID BYqzwMHqfhz
InChI InChI=1S/C14H9F3N4OS/c1-7-3-2-4-8(5-7)6-9-10(18)21-13(19-11(9)22)23-12(20-21)14(15,16)17/h2-6,18H,1H3/b9-6+,18-10?
InChIKey IKGLRHOXUNCUGM-LLMQNPFWSA-N
Mol Weight 338.31 g/mol
Molecular Formula C14H9F3N4OS
Exact Mass 338.044917 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jd8LcFtEEGt
Name (6E)-5-imino-6-(3-methylbenzylidene)-2-(trifluoromethyl)-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/C14H9F3N4OS/c1-7-3-2-4-8(5-7)6-9-10(18)21-13(19-11(9)22)23-12(20-21)14(15,16)17/h2-6,18H,1H3/b9-6+,18-10?
InChIKey IKGLRHOXUNCUGM-LLMQNPFWSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_7148
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: 127215; Labnumber: CEP-24219; VK_ID: VK-007152
Synonyms 5-imino-6-(3-methylbenzylidene)-2-(trifluoromethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Temperature 308 °C