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ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
SpectraBase Compound ID 6K4g1JN4L6M
InChI InChI=1S/C24H24Cl2N2O4S/c1-3-31-24(30)19-14-9-6-4-5-7-12-17(14)33-23(19)27-22(29)18-13(2)32-28-21(18)20-15(25)10-8-11-16(20)26/h8,10-11H,3-7,9,12H2,1-2H3,(H,27,29)
InChIKey SNICRLQURDGKBY-UHFFFAOYSA-N
Mol Weight 507.43 g/mol
Molecular Formula C24H24Cl2N2O4S
Exact Mass 506.083384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GoGksfzIc0g
Name ethyl 2-({[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[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/C24H24Cl2N2O4S/c1-3-31-24(30)19-14-9-6-4-5-7-12-17(14)33-23(19)27-22(29)18-13(2)32-28-21(18)20-15(25)10-8-11-16(20)26/h8,10-11H,3-7,9,12H2,1-2H3,(H,27,29)
InChIKey SNICRLQURDGKBY-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1911
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: UZI/8035654; UBI_ID: UBI-001912
Temperature 308 °C