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3-thiophenecarboxylic acid, 2-[[[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl]amino]-4-ethyl-5-methyl-, methyl ester

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3-thiophenecarboxylic acid, 2-[[[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl]amino]-4-ethyl-5-methyl-, methyl ester
SpectraBase Compound ID HBYzDDTZ0IR
InChI InChI=1S/C20H21F3N4O3S/c1-6-12-11(4)31-18(16(12)19(29)30-5)25-14(28)8-27-17-15(10(3)26-27)13(20(21,22)23)7-9(2)24-17/h7H,6,8H2,1-5H3,(H,25,28)
InChIKey WGBKSLVVUIFAIV-UHFFFAOYSA-N
Mol Weight 454.47 g/mol
Molecular Formula C20H21F3N4O3S
Exact Mass 454.128646 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7nHJHrRUwPc
Name 3-thiophenecarboxylic acid, 2-[[[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl]amino]-4-ethyl-5-methyl-, methyl ester
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/C20H21F3N4O3S/c1-6-12-11(4)31-18(16(12)19(29)30-5)25-14(28)8-27-17-15(10(3)26-27)13(20(21,22)23)7-9(2)24-17/h7H,6,8H2,1-5H3,(H,25,28)
InChIKey WGBKSLVVUIFAIV-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_21468
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: 2180031; UZI_ID: UZI-021476
Temperature 308 °C