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methyl 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

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methyl 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 2iPlHSy7KLv
InChI InChI=1S/C18H17F2N5O3S/c1-8-7-10(13(19)20)25-18(21-8)22-14(24-25)15(26)23-16-12(17(27)28-2)9-5-3-4-6-11(9)29-16/h7,13H,3-6H2,1-2H3,(H,23,26)
InChIKey KGBDNIIBNDUADA-UHFFFAOYSA-N
Mol Weight 421.42 g/mol
Molecular Formula C18H17F2N5O3S
Exact Mass 421.102017 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5waXjCtHLGu
Name methyl 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/C18H17F2N5O3S/c1-8-7-10(13(19)20)25-18(21-8)22-14(24-25)15(26)23-16-12(17(27)28-2)9-5-3-4-6-11(9)29-16/h7,13H,3-6H2,1-2H3,(H,23,26)
InChIKey KGBDNIIBNDUADA-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1460
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: 9311702; UBI_ID: UBI-001461
Temperature 313 °C