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methyl 6-tert-butyl-2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID C8l2dJj3r3R
InChI InChI=1S/C28H28F2N4O3S/c1-28(2,3)16-10-11-17-21(12-16)38-26(22(17)27(36)37-4)33-25(35)18-14-31-34-20(23(29)30)13-19(32-24(18)34)15-8-6-5-7-9-15/h5-9,13-14,16,23H,10-12H2,1-4H3,(H,33,35)
InChIKey NSROTYXTWUSDOB-UHFFFAOYSA-N
Mol Weight 538.61 g/mol
Molecular Formula C28H28F2N4O3S
Exact Mass 538.185018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9fkzzeAjBif
Name methyl 6-tert-butyl-2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-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/C28H28F2N4O3S/c1-28(2,3)16-10-11-17-21(12-16)38-26(22(17)27(36)37-4)33-25(35)18-14-31-34-20(23(29)30)13-19(32-24(18)34)15-8-6-5-7-9-15/h5-9,13-14,16,23H,10-12H2,1-4H3,(H,33,35)
InChIKey NSROTYXTWUSDOB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1489
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: 9312200; UBI_ID: UBI-001490
Temperature 308 °C