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4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4H-Cyclohepta[b]thiophene-3-carboxylic acid, 2-[[1-[(2,4-dichlorobenzoyl)amino]-2,2,2-trifluoro-1-(methoxycarbonyl)ethyl]amino]-5,6,7,8-tetrahydro-, methyl ester
SpectraBase Compound ID H0W3oR3rSE6
InChI InChI=1S/C22H21Cl2F3N2O5S/c1-33-19(31)16-13-6-4-3-5-7-15(13)35-18(16)29-21(20(32)34-2,22(25,26)27)28-17(30)12-9-8-11(23)10-14(12)24/h8-10,29H,3-7H2,1-2H3,(H,28,30)
InChIKey HRYGFFSTTIDLJE-UHFFFAOYSA-N
Mol Weight 553.38 g/mol
Molecular Formula C22H21Cl2F3N2O5S
Exact Mass 552.050033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7qFBwepKLcb
Name methyl 2-{[1-[(2,4-dichlorobenzoyl)amino]-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 © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C22H21Cl2F3N2O5S/c1-33-19(31)16-13-6-4-3-5-7-15(13)35-18(16)29-21(20(32)34-2,22(25,26)27)28-17(30)12-9-8-11(23)10-14(12)24/h8-10,29H,3-7H2,1-2H3,(H,28,30)
InChIKey HRYGFFSTTIDLJE-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_460
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: C27174; Labnumber: SOK-1103; SBI_ID: SBI-000462
Temperature 308 °C