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3-amino-N-(4-chlorobenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
SpectraBase Compound ID EUkrslbF9i6
InChI InChI=1S/C19H15ClF3N3OS/c20-10-6-4-9(5-7-10)8-25-17(27)16-15(24)13-14(19(21,22)23)11-2-1-3-12(11)26-18(13)28-16/h4-7H,1-3,8,24H2,(H,25,27)
InChIKey BMKAUMDPAJJEGO-UHFFFAOYSA-N
Mol Weight 425.86 g/mol
Molecular Formula C19H15ClF3N3OS
Exact Mass 425.057645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H5P91qpqNze
Name 3-amino-N-(4-chlorobenzyl)-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
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/C19H15ClF3N3OS/c20-10-6-4-9(5-7-10)8-25-17(27)16-15(24)13-14(19(21,22)23)11-2-1-3-12(11)26-18(13)28-16/h4-7H,1-3,8,24H2,(H,25,27)
InChIKey BMKAUMDPAJJEGO-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25662
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: D60534; Labnumber: SHES3-0317; SBI_ID: SBI-025666
Temperature 308 °C