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2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
SpectraBase Compound ID F4K5mGiyGsJ
InChI InChI=1S/C19H17Cl2N3OS/c20-15-7-6-14(9-16(15)21)23-18(25)11-26-19-13(10-22)8-12-4-2-1-3-5-17(12)24-19/h6-9H,1-5,11H2,(H,23,25)
InChIKey UKURBAOFWUKQLA-UHFFFAOYSA-N
Mol Weight 406.33 g/mol
Molecular Formula C19H17Cl2N3OS
Exact Mass 405.046939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 39fvUJMMMdg
Name 2-[(3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)sulfanyl]-N-(3,4-dichlorophenyl)acetamide
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/C19H17Cl2N3OS/c20-15-7-6-14(9-16(15)21)23-18(25)11-26-19-13(10-22)8-12-4-2-1-3-5-17(12)24-19/h6-9H,1-5,11H2,(H,23,25)
InChIKey UKURBAOFWUKQLA-UHFFFAOYSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_2708
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: NMR/9296402; Labnumber: NKS-aca0078