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

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methyl 2-{[1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 57WVtHRqgSf
InChI InChI=1S/C17H21F3N2O5S/c1-9(23)21-16(15(25)27-3,17(18,19)20)22-13-12(14(24)26-2)10-7-5-4-6-8-11(10)28-13/h22H,4-8H2,1-3H3,(H,21,23)
InChIKey MXBXYOPOMNKEEH-UHFFFAOYSA-N
Mol Weight 422.42 g/mol
Molecular Formula C17H21F3N2O5S
Exact Mass 422.112327 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID pTkpQvQ4SK
Name methyl 2-{[1-(acetylamino)-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
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/C17H21F3N2O5S/c1-9(23)21-16(15(25)27-3,17(18,19)20)22-13-12(14(24)26-2)10-7-5-4-6-8-11(10)28-13/h22H,4-8H2,1-3H3,(H,21,23)
InChIKey MXBXYOPOMNKEEH-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_458
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: C27172; Labnumber: SOK-1101; SBI_ID: SBI-000460
Temperature 308 °C