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sec-butyl 2-({[7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 1 NMR

sec-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 5kqBSvTc8Kz
InChI InChI=1S/C27H26F2N4O3S/c1-3-15(2)36-27(35)22-17-11-7-8-12-21(17)37-26(22)32-25(34)18-14-30-33-20(23(28)29)13-19(31-24(18)33)16-9-5-4-6-10-16/h4-6,9-10,13-15,23H,3,7-8,11-12H2,1-2H3,(H,32,34)
InChIKey MJYGRFXIRVUJJN-UHFFFAOYSA-N
Mol Weight 524.59 g/mol
Molecular Formula C27H26F2N4O3S
Exact Mass 524.169368 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8yV8ZCzLH5X
Name sec-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/C27H26F2N4O3S/c1-3-15(2)36-27(35)22-17-11-7-8-12-21(17)37-26(22)32-25(34)18-14-30-33-20(23(28)29)13-19(31-24(18)33)16-9-5-4-6-10-16/h4-6,9-10,13-15,23H,3,7-8,11-12H2,1-2H3,(H,32,34)
InChIKey MJYGRFXIRVUJJN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3012
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: 9313539; UBI_ID: UBI-003013
Temperature 313 °C