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2-methyl-N-{2,2,2-trichloro-1-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]ethyl}benzamide
SpectraBase Compound ID 4rxopfxENVC
InChI InChI=1S/C18H16Cl3N3OS/c1-10-5-2-3-6-11(10)15(25)23-17(18(19,20)21)24-16-13(9-22)12-7-4-8-14(12)26-16/h2-3,5-6,17,24H,4,7-8H2,1H3,(H,23,25)
InChIKey CEHUOXHGYGZDQO-UHFFFAOYSA-N
Mol Weight 428.77 g/mol
Molecular Formula C18H16Cl3N3OS
Exact Mass 427.007966 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JQyFIQIm4oC
Name 2-methyl-N-{2,2,2-trichloro-1-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thien-2-yl)amino]ethyl}benzamide
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/C18H16Cl3N3OS/c1-10-5-2-3-6-11(10)15(25)23-17(18(19,20)21)24-16-13(9-22)12-7-4-8-14(12)26-16/h2-3,5-6,17,24H,4,7-8H2,1H3,(H,23,25)
InChIKey CEHUOXHGYGZDQO-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_14946
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: 987/00001065; Labnumber: 987/00001065218812; VK_ID: VK-014951
Temperature 305 °C