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ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID 48PIubdwSQc
InChI InChI=1S/C21H18Cl2N2O4S/c1-3-28-21(27)16-11-6-4-9-14(11)30-20(16)24-19(26)15-10(2)29-25-18(15)17-12(22)7-5-8-13(17)23/h5,7-8H,3-4,6,9H2,1-2H3,(H,24,26)
InChIKey HOUZESBWTUEORX-UHFFFAOYSA-N
Mol Weight 465.35 g/mol
Molecular Formula C21H18Cl2N2O4S
Exact Mass 464.036434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4xLIQbBtYxa
Name ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-5,6-dihydro-4H-cyclopenta[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/C21H18Cl2N2O4S/c1-3-28-21(27)16-11-6-4-9-14(11)30-20(16)24-19(26)15-10(2)29-25-18(15)17-12(22)7-5-8-13(17)23/h5,7-8H,3-4,6,9H2,1-2H3,(H,24,26)
InChIKey HOUZESBWTUEORX-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34401
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: 8034421; SBI_ID: SBI-034405
Temperature 313 °C