1H-pyrazolo[3,4-b]pyridine-1-acetic acid, 6-(5-chloro-2-thienyl)-3-cyclopropyl-4-(trifluoromethyl)-, ethyl ester

SpectraBase Compound ID	5ByG1oMiZ6y
InChI	InChI=1S/C18H15ClF3N3O2S/c1-2-27-14(26)8-25-17-15(16(24-25)9-3-4-9)10(18(20,21)22)7-11(23-17)12-5-6-13(19)28-12/h5-7,9H,2-4,8H2,1H3
InChIKey	PWEPAUJOHPNXSZ-UHFFFAOYSA-N Google Search
Mol Weight	429.85 g/mol
Molecular Formula	C18H15ClF3N3O2S
Exact Mass	429.05256 g/mol

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SpectraBase Spectrum ID	DQYZIipbNai
Name	1H-pyrazolo[3,4-b]pyridine-1-acetic acid, 6-(5-chloro-2-thienyl)-3-cyclopropyl-4-(trifluoromethyl)-, ethyl 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/C18H15ClF3N3O2S/c1-2-27-14(26)8-25-17-15(16(24-25)9-3-4-9)10(18(20,21)22)7-11(23-17)12-5-6-13(19)28-12/h5-7,9H,2-4,8H2,1H3
InChIKey	PWEPAUJOHPNXSZ-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UZI_26187_22820
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: 2243822; UZI_ID: UZI-022828
Temperature	308 °C