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ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7LUjfTsP1wf
InChI InChI=1S/C19H19F2N5O3S/c1-3-29-18(28)13-10-6-4-5-7-12(10)30-17(13)24-16(27)15-23-19-22-9(2)8-11(14(20)21)26(19)25-15/h8,14H,3-7H2,1-2H3,(H,24,27)
InChIKey AAPXCDKTXKTBQD-UHFFFAOYSA-N
Mol Weight 435.45 g/mol
Molecular Formula C19H19F2N5O3S
Exact Mass 435.117667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jx6KPrOoxSh
Name ethyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C19H19F2N5O3S/c1-3-29-18(28)13-10-6-4-5-7-12(10)30-17(13)24-16(27)15-23-19-22-9(2)8-11(14(20)21)26(19)25-15/h8,14H,3-7H2,1-2H3,(H,24,27)
InChIKey AAPXCDKTXKTBQD-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1680
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: 9311519; UBI_ID: UBI-001681
Temperature 313 °C