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1-(benzylsulfonyl)hexahydro-1H-azepine

View entire compound with spectra: 1 NMR

1-(benzylsulfonyl)hexahydro-1H-azepine
SpectraBase Compound ID PmkgYwgyzI
InChI InChI=1S/C13H19NO2S/c15-17(16,12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2
InChIKey CRWUIWIYBHVTQV-UHFFFAOYSA-N
Mol Weight 253.36 g/mol
Molecular Formula C13H19NO2S
Exact Mass 253.11365 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CxLNuWhe7dx
Name 1-(benzylsulfonyl)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/C13H19NO2S/c15-17(16,12-13-8-4-3-5-9-13)14-10-6-1-2-7-11-14/h3-5,8-9H,1-2,6-7,10-12H2
InChIKey CRWUIWIYBHVTQV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16176
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/8076620; UBI_ID: UBI-016179
Temperature 318 °C