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1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]hexahydro-2H-azepin-2-one
SpectraBase Compound ID 7XbQ1FB5gKA
InChI InChI=1S/C14H16N2OS2/c17-13-8-2-1-5-9-16(13)10-18-14-15-11-6-3-4-7-12(11)19-14/h3-4,6-7H,1-2,5,8-10H2
InChIKey KRMYPFNABQFRFT-UHFFFAOYSA-N
Mol Weight 292.42 g/mol
Molecular Formula C14H16N2OS2
Exact Mass 292.070405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7v7mnTPibcX
Name 1-[(1,3-benzothiazol-2-ylsulfanyl)methyl]hexahydro-2H-azepin-2-one
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/C14H16N2OS2/c17-13-8-2-1-5-9-16(13)10-18-14-15-11-6-3-4-7-12(11)19-14/h3-4,6-7H,1-2,5,8-10H2
InChIKey KRMYPFNABQFRFT-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5989
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: 121907; Labnumber: EX00112389; VK_ID: VK-005992
Temperature 308 °C