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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]-2-phenylacetamide

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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]-2-phenylacetamide
SpectraBase Compound ID 8VEK2cMtVSh
InChI InChI=1S/C21H19F6N3OS/c22-20(23,24)19(21(25,26)27,29-17(31)11-13-7-3-1-4-8-13)30-18-15(12-28)14-9-5-2-6-10-16(14)32-18/h1,3-4,7-8,30H,2,5-6,9-11H2,(H,29,31)
InChIKey XTOQXYWRADJNRV-UHFFFAOYSA-N
Mol Weight 475.45 g/mol
Molecular Formula C21H19F6N3OS
Exact Mass 475.115302 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3omwk08kWZQ
Name N-[1-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-2-phenylacetamide
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/C21H19F6N3OS/c22-20(23,24)19(21(25,26)27,29-17(31)11-13-7-3-1-4-8-13)30-18-15(12-28)14-9-5-2-6-10-16(14)32-18/h1,3-4,7-8,30H,2,5-6,9-11H2,(H,29,31)
InChIKey XTOQXYWRADJNRV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20324
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: D16532; Labnumber: SOK-1455; SBI_ID: SBI-020328
Temperature 318 °C