3-amino-N-(2-chlorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide

SpectraBase Compound ID	FZYarkjxkOe
InChI	InChI=1S/C21H19ClF3N3OS/c22-12-8-5-6-10-14(12)27-19(29)18-17(26)15-16(21(23,24)25)11-7-3-1-2-4-9-13(11)28-20(15)30-18/h5-6,8,10H,1-4,7,9,26H2,(H,27,29)
InChIKey	HGMOWZRMOXOJKP-UHFFFAOYSA-N Google Search
Mol Weight	453.91 g/mol
Molecular Formula	C21H19ClF3N3OS
Exact Mass	453.088946 g/mol

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SpectraBase Spectrum ID	GmJ0XNKv7CT
Name	3-amino-N-(2-chlorophenyl)-4-(trifluoromethyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide
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/C21H19ClF3N3OS/c22-12-8-5-6-10-14(12)27-19(29)18-17(26)15-16(21(23,24)25)11-7-3-1-2-4-9-13(11)28-20(15)30-18/h5-6,8,10H,1-4,7,9,26H2,(H,27,29)
InChIKey	HGMOWZRMOXOJKP-UHFFFAOYSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_25687
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: D60561; Labnumber: SHES3-0365; SBI_ID: SBI-025691
Temperature	308 °C