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methyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

View entire compound with spectra: 1 NMR

methyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID IvIj3IY4a9W
InChI InChI=1S/C23H24F6N2O3S/c1-34-20(33)18-15-10-6-3-7-11-16(15)35-19(18)31-21(22(24,25)26,23(27,28)29)30-17(32)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,31H,3,6-7,10-13H2,1H3,(H,30,32)
InChIKey NNSLOVPSJIHYOJ-UHFFFAOYSA-N
Mol Weight 522.51 g/mol
Molecular Formula C23H24F6N2O3S
Exact Mass 522.141183 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5TxoBRFSABY
Name methyl 2-{[2,2,2-trifluoro-1-[(3-phenylpropanoyl)amino]-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C23H24F6N2O3S/c1-34-20(33)18-15-10-6-3-7-11-16(15)35-19(18)31-21(22(24,25)26,23(27,28)29)30-17(32)13-12-14-8-4-2-5-9-14/h2,4-5,8-9,31H,3,6-7,10-13H2,1H3,(H,30,32)
InChIKey NNSLOVPSJIHYOJ-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_459
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: C27173; Labnumber: SOK-1102; SBI_ID: SBI-000461
Temperature 308 °C