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N-[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide

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N-[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID JM07SUltPQi
InChI InChI=1S/C21H19Cl2N3O3S/c1-10-15(18(26-29-10)17-12(22)7-5-8-13(17)23)20(28)25-21-16(19(24)27)11-6-3-2-4-9-14(11)30-21/h5,7-8H,2-4,6,9H2,1H3,(H2,24,27)(H,25,28)
InChIKey KDGBNBWUKSPARR-UHFFFAOYSA-N
Mol Weight 464.37 g/mol
Molecular Formula C21H19Cl2N3O3S
Exact Mass 463.052418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4iQ0XhLNGgM
Name N-[3-(aminocarbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
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/C21H19Cl2N3O3S/c1-10-15(18(26-29-10)17-12(22)7-5-8-13(17)23)20(28)25-21-16(19(24)27)11-6-3-2-4-9-14(11)30-21/h5,7-8H,2-4,6,9H2,1H3,(H2,24,27)(H,25,28)
InChIKey KDGBNBWUKSPARR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_14559
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/9088954; Labnumber: NSB0069848; UZI_ID: UZI-014563
Temperature 318 °C