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methyl 6-tert-butyl-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 6-tert-butyl-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 96VoZe9mcm2
InChI InChI=1S/C22H25F2N5O3S/c1-10-8-13(16(23)24)29-21(25-10)26-17(28-29)18(30)27-19-15(20(31)32-5)12-7-6-11(22(2,3)4)9-14(12)33-19/h8,11,16H,6-7,9H2,1-5H3,(H,27,30)
InChIKey ZESJQVLEJLOCPZ-UHFFFAOYSA-N
Mol Weight 477.53 g/mol
Molecular Formula C22H25F2N5O3S
Exact Mass 477.164617 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8j2gYomFZRL
Name methyl 6-tert-butyl-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/C22H25F2N5O3S/c1-10-8-13(16(23)24)29-21(25-10)26-17(28-29)18(30)27-19-15(20(31)32-5)12-7-6-11(22(2,3)4)9-14(12)33-19/h8,11,16H,6-7,9H2,1-5H3,(H,27,30)
InChIKey ZESJQVLEJLOCPZ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1480
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: 9310689; UBI_ID: UBI-001481
Temperature 308 °C