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N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-chloronicotinamide
SpectraBase Compound ID 9PfMvVhRkiC
InChI InChI=1S/C17H18ClN3O2S/c1-2-9-5-6-10-12(8-9)24-17(13(10)15(19)22)21-16(23)11-4-3-7-20-14(11)18/h3-4,7,9H,2,5-6,8H2,1H3,(H2,19,22)(H,21,23)
InChIKey KJERZSIZXJROQK-UHFFFAOYSA-N
Mol Weight 363.86 g/mol
Molecular Formula C17H18ClN3O2S
Exact Mass 363.080826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8SB3UdfURds
Name N-[3-(aminocarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]-2-chloronicotinamide
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/C17H18ClN3O2S/c1-2-9-5-6-10-12(8-9)24-17(13(10)15(19)22)21-16(23)11-4-3-7-20-14(11)18/h3-4,7,9H,2,5-6,8H2,1H3,(H2,19,22)(H,21,23)
InChIKey KJERZSIZXJROQK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5739
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/8170522; UBI_ID: UBI-005741
Temperature 318 °C