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2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-(7,8-Dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol
SpectraBase Compound ID 6q8YM4i1ED6
InChI InChI=1S/C17H17NO3S2/c1-10-6-12-8-22-17(23-9-13(12)7-11(10)2)14-4-3-5-15(16(14)19)18(20)21/h3-7,17,19H,8-9H2,1-2H3
InChIKey IYKNAMAXZLQEBE-UHFFFAOYSA-N
Mol Weight 347.45 g/mol
Molecular Formula C17H17NO3S2
Exact Mass 347.064986 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID C5hSpIZAfC5
Name 2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)-6-nitrophenol
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/C17H17NO3S2/c1-10-6-12-8-22-17(23-9-13(12)7-11(10)2)14-4-3-5-15(16(14)19)18(20)21/h3-7,17,19H,8-9H2,1-2H3
InChIKey IYKNAMAXZLQEBE-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_193
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: 602103RRPA-044; Labnumber: 602103RRPA-044; VK_ID: VK-000194
Temperature 313 °C