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N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide

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N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxamide
SpectraBase Compound ID 4Ujy1GXK6wq
InChI InChI=1S/C25H28ClN3O3S/c1-5-25(3,4)14-10-11-16-18(12-14)33-24(20(16)22(27)30)28-23(31)19-13(2)32-29-21(19)15-8-6-7-9-17(15)26/h6-9,14H,5,10-12H2,1-4H3,(H2,27,30)(H,28,31)
InChIKey QBMKVAOPMNQTGY-UHFFFAOYSA-N
Mol Weight 486.03 g/mol
Molecular Formula C25H28ClN3O3S
Exact Mass 485.153991 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DsDoeDPjQcP
Name N-[3-(aminocarbonyl)-6-tert-pentyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-3-(2-chlorophenyl)-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/C25H28ClN3O3S/c1-5-25(3,4)14-10-11-16-18(12-14)33-24(20(16)22(27)30)28-23(31)19-13(2)32-29-21(19)15-8-6-7-9-17(15)26/h6-9,14H,5,10-12H2,1-4H3,(H2,27,30)(H,28,31)
InChIKey QBMKVAOPMNQTGY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_13013
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/8043817; Labnumber: NSB0019143; UZI_ID: UZI-013017
Temperature 318 °C