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N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]propanamide
SpectraBase Compound ID 5BE3M3yIN0F
InChI InChI=1S/C16H17F6N3OS/c1-2-12(26)24-14(15(17,18)19,16(20,21)22)25-13-10(8-23)9-6-4-3-5-7-11(9)27-13/h25H,2-7H2,1H3,(H,24,26)
InChIKey RYQPGFQYUPVXLG-UHFFFAOYSA-N
Mol Weight 413.38 g/mol
Molecular Formula C16H17F6N3OS
Exact Mass 413.099652 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H0RBktFIyWQ
Name N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]propanamide
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/C16H17F6N3OS/c1-2-12(26)24-14(15(17,18)19,16(20,21)22)25-13-10(8-23)9-6-4-3-5-7-11(9)27-13/h25H,2-7H2,1H3,(H,24,26)
InChIKey RYQPGFQYUPVXLG-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2894
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: NMR/9290711; Labnumber: AU-0000417