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1-(4-chlorobenzothioyl)hexahydro-1H-azepine

View entire compound with spectra: 1 NMR

1-(4-chlorobenzothioyl)hexahydro-1H-azepine
SpectraBase Compound ID 2dMikbs2wPJ
InChI InChI=1S/C13H16ClNS/c14-12-7-5-11(6-8-12)13(16)15-9-3-1-2-4-10-15/h5-8H,1-4,9-10H2
InChIKey DEVPEOPUYDLOEF-UHFFFAOYSA-N
Mol Weight 253.79 g/mol
Molecular Formula C13H16ClNS
Exact Mass 253.069198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Btdej9L7SJ
Name 1-(4-chlorobenzothioyl)hexahydro-1H-azepine
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/C13H16ClNS/c14-12-7-5-11(6-8-12)13(16)15-9-3-1-2-4-10-15/h5-8H,1-4,9-10H2
InChIKey DEVPEOPUYDLOEF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12772
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/9125338; UBI_ID: UBI-012775
Temperature 318 °C