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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]guanidine

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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[4-(2-thienyl)-6-(trifluoromethyl)-2-pyrimidinyl]guanidine
SpectraBase Compound ID 8UAMa5bUfNQ
InChI InChI=1S/C18H14F3N5O2S/c19-18(20,21)15-9-11(14-2-1-7-29-14)24-17(25-15)26-16(22)23-10-3-4-12-13(8-10)28-6-5-27-12/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26)
InChIKey YYGNKLXGBGTDHA-UHFFFAOYSA-N
Mol Weight 421.4 g/mol
Molecular Formula C18H14F3N5O2S
Exact Mass 421.08203 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9oJ0MGqHfIU
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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/C18H14F3N5O2S/c19-18(20,21)15-9-11(14-2-1-7-29-14)24-17(25-15)26-16(22)23-10-3-4-12-13(8-10)28-6-5-27-12/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26)
InChIKey YYGNKLXGBGTDHA-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29186
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: D91312; Labnumber: VGU-30769; SBI_ID: SBI-029190
Temperature 318 °C