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

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ethyl 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 4Z4SZh9JYHN
InChI InChI=1S/C25H22F2N4O3S/c1-2-34-25(33)20-15-10-6-7-11-19(15)35-24(20)30-23(32)16-13-28-31-18(21(26)27)12-17(29-22(16)31)14-8-4-3-5-9-14/h3-5,8-9,12-13,21H,2,6-7,10-11H2,1H3,(H,30,32)
InChIKey VCABRFMZAGPCQB-UHFFFAOYSA-N
Mol Weight 496.53 g/mol
Molecular Formula C25H22F2N4O3S
Exact Mass 496.138068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A7qbtCUpBEU
Name ethyl 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 © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H22F2N4O3S/c1-2-34-25(33)20-15-10-6-7-11-19(15)35-24(20)30-23(32)16-13-28-31-18(21(26)27)12-17(29-22(16)31)14-8-4-3-5-9-14/h3-5,8-9,12-13,21H,2,6-7,10-11H2,1H3,(H,30,32)
InChIKey VCABRFMZAGPCQB-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3105
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: 9314589; UBI_ID: UBI-003106
Temperature 313 °C