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(2E)-3-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-1-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propen-1-one

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(2E)-3-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-1-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propen-1-one
SpectraBase Compound ID Cbd9EwmBwXx
InChI InChI=1S/C22H22F2N4O2S/c1-13-9-18(21(23)24)27-22(26-13)31-12-16-10-15(6-8-20(16)30-4)5-7-19(29)17-11-25-28(3)14(17)2/h5-11,21H,12H2,1-4H3/b7-5+
InChIKey SNKMTJXXHAVTQB-FNORWQNLSA-N
Mol Weight 444.5 g/mol
Molecular Formula C22H22F2N4O2S
Exact Mass 444.143153 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6mYRVrPBZ3k
Name (2E)-3-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-1-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propen-1-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/C22H22F2N4O2S/c1-13-9-18(21(23)24)27-22(26-13)31-12-16-10-15(6-8-20(16)30-4)5-7-19(29)17-11-25-28(3)14(17)2/h5-11,21H,12H2,1-4H3/b7-5+
InChIKey SNKMTJXXHAVTQB-FNORWQNLSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30022
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: 1550319; SBI_ID: SBI-030026
Synonyms 3-[3-({[4-(difluoromethyl)-6-methyl-2-pyrimidinyl]sulfanyl}methyl)-4-methoxyphenyl]-1-(1,5-dimethyl-1H-pyrazol-4-yl)-2-propen-1-one
Temperature 318 °C