2-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

SpectraBase Compound ID	LOpmXjB1MBW
InChI	InChI=1S/C20H18F3N3O3S/c1-28-11-6-7-15(16(8-11)29-2)25-17(27)10-30-19-13(9-24)18(20(21,22)23)12-4-3-5-14(12)26-19/h6-8H,3-5,10H2,1-2H3,(H,25,27)
InChIKey	QKIDNUNHWVAQMN-UHFFFAOYSA-N Google Search
Mol Weight	437.44 g/mol
Molecular Formula	C20H18F3N3O3S
Exact Mass	437.102097 g/mol

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SpectraBase Spectrum ID	pmtt5xpcsW
Name	2-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
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/C20H18F3N3O3S/c1-28-11-6-7-15(16(8-11)29-2)25-17(27)10-30-19-13(9-24)18(20(21,22)23)12-4-3-5-14(12)26-19/h6-8H,3-5,10H2,1-2H3,(H,25,27)
InChIKey	QKIDNUNHWVAQMN-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25661
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: D60533; Labnumber: SHES3-0316; SBI_ID: SBI-025665
Temperature	308 °C