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methyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID 48HrKVcG2AF
InChI InChI=1S/C21H18Cl2F6N2O3S/c1-34-18(33)15-12-5-3-2-4-6-14(12)35-17(15)31-19(20(24,25)26,21(27,28)29)30-16(32)11-8-7-10(22)9-13(11)23/h7-9,31H,2-6H2,1H3,(H,30,32)
InChIKey TYSNGCOLQGPPEI-UHFFFAOYSA-N
Mol Weight 563.34 g/mol
Molecular Formula C21H18Cl2F6N2O3S
Exact Mass 562.031938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LhqDqj9OoXc
Name methyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-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/C21H18Cl2F6N2O3S/c1-34-18(33)15-12-5-3-2-4-6-14(12)35-17(15)31-19(20(24,25)26,21(27,28)29)30-16(32)11-8-7-10(22)9-13(11)23/h7-9,31H,2-6H2,1H3,(H,30,32)
InChIKey TYSNGCOLQGPPEI-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_461
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: C27175; Labnumber: SOK-1104; SBI_ID: SBI-000463
Temperature 308 °C