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N-(4-ethoxyphenyl)-N'-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]guanidine

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N-(4-ethoxyphenyl)-N'-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]guanidine
SpectraBase Compound ID CwPppTkjRbB
InChI InChI=1S/C18H16F3N5OS/c1-2-27-12-7-5-11(6-8-12)23-16(22)26-17-24-13(14-4-3-9-28-14)10-15(25-17)18(19,20)21/h3-10H,2H2,1H3,(H3,22,23,24,25,26)
InChIKey KZIPIOONJLCMGA-UHFFFAOYSA-N
Mol Weight 407.42 g/mol
Molecular Formula C18H16F3N5OS
Exact Mass 407.102766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfSsVq6Qcy2
Name N-(4-ethoxyphenyl)-N'-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]guanidine
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/C18H16F3N5OS/c1-2-27-12-7-5-11(6-8-12)23-16(22)26-17-24-13(14-4-3-9-28-14)10-15(25-17)18(19,20)21/h3-10H,2H2,1H3,(H3,22,23,24,25,26)
InChIKey KZIPIOONJLCMGA-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28559
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: D86431; Labnumber: VGU-30790; SBI_ID: SBI-028563
Temperature 306 °C