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3-(hexahydro-1H-azepin-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione

View entire compound with spectra: 1 NMR

3-(hexahydro-1H-azepin-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
SpectraBase Compound ID HQ0tERXCxX4
InChI InChI=1S/C16H21N3OS/c1-13-6-8-14(9-7-13)15-17-19(16(21)20-15)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3
InChIKey MHAZCHDVLQKHNJ-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C16H21N3OS
Exact Mass 303.140533 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IFMU8mmJk3E
Name 3-(hexahydro-1H-azepin-1-ylmethyl)-5-(4-methylphenyl)-1,3,4-oxadiazole-2(3H)-thione
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/C16H21N3OS/c1-13-6-8-14(9-7-13)15-17-19(16(21)20-15)12-18-10-4-2-3-5-11-18/h6-9H,2-5,10-12H2,1H3
InChIKey MHAZCHDVLQKHNJ-UHFFFAOYSA-N
NMR Offset 14.5168
NMR Spectrometer Frequency 300.133
Observed nucleus 1H
Origin 1H_ASIOH_7000_3709
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent CDCl3
Source File Reference VendorID: ZI/7062374; Labnumber: LP-0800403; IOH_ID: IOH-003710
Temperature 297 °C