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acetamide, 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID o3ronxQgon
InChI InChI=1S/C21H20F3N3OS/c22-21(23,24)16-7-5-8-17(11-16)26-19(28)13-29-20-15(12-25)10-14-6-3-1-2-4-9-18(14)27-20/h5,7-8,10-11H,1-4,6,9,13H2,(H,26,28)
InChIKey USBILJVESABRAG-UHFFFAOYSA-N
Mol Weight 419.47 g/mol
Molecular Formula C21H20F3N3OS
Exact Mass 419.127918 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2AlxnHjmlMA
Name acetamide, 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]-N-[3-(trifluoromethyl)phenyl]-
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/C21H20F3N3OS/c22-21(23,24)16-7-5-8-17(11-16)26-19(28)13-29-20-15(12-25)10-14-6-3-1-2-4-9-18(14)27-20/h5,7-8,10-11H,1-4,6,9,13H2,(H,26,28)
InChIKey USBILJVESABRAG-UHFFFAOYSA-N
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_1059
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: 63TSH0.278; IOH_ID: IOH-008061