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N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID ARrQ8ka9A2G
InChI InChI=1S/C20H17Cl2N3O3S/c1-9-14(17(25-28-9)16-11(21)6-4-7-12(16)22)19(27)24-20-15(18(23)26)10-5-2-3-8-13(10)29-20/h4,6-7H,2-3,5,8H2,1H3,(H2,23,26)(H,24,27)
InChIKey ITJXTGWMNBZVDW-UHFFFAOYSA-N
Mol Weight 450.34 g/mol
Molecular Formula C20H17Cl2N3O3S
Exact Mass 449.036768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DAYKeH60Vuf
Name N-[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-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/C20H17Cl2N3O3S/c1-9-14(17(25-28-9)16-11(21)6-4-7-12(16)22)19(27)24-20-15(18(23)26)10-5-2-3-8-13(10)29-20/h4,6-7H,2-3,5,8H2,1H3,(H2,23,26)(H,24,27)
InChIKey ITJXTGWMNBZVDW-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_12922
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/8046548; Labnumber: NSB0016851; UZI_ID: UZI-012926
Temperature 318 °C