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3,6-DICHLORO-1-(4-METHYLPHENYLSULFONYL)-1H-AZEPINE

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3,6-DICHLORO-1-(4-METHYLPHENYLSULFONYL)-1H-AZEPINE
SpectraBase Compound ID 7VQH684EKTu
InChI InChI=1S/C13H11Cl2NO2S/c1-10-2-6-13(7-3-10)19(17,18)16-8-11(14)4-5-12(15)9-16/h2-9H,1H3
InChIKey CVNRANIRVOQWHR-UHFFFAOYSA-N
Mol Weight 316.2 g/mol
Molecular Formula C13H11Cl2NO2S
Exact Mass 314.988755 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BSOmCpVVb6q
Name 3,6-DICHLORO-1-(4-METHYLPHENYLSULFONYL)-1H-AZEPINE
Compound Number 31B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H11Cl2NO2S
InChI InChI=1S/C13H11Cl2NO2S/c1-10-2-6-13(7-3-10)19(17,18)16-8-11(14)4-5-12(15)9-16/h2-9H,1H3
InChIKey CVNRANIRVOQWHR-UHFFFAOYSA-N
Literature Reference Author H.PRINZBACH,H.BINGMANN,H.FRITZ,J.MARKERT,L.KNOTHE,W.EBERBACH ,J.BROKATZKY-GEIGER,
Literature Reference Citation CHEM.BER.,119,616(1986)
Literature Reference DOI 10.1002/cber.19861190223
Molecular Weight 316.202 g/mol
Solvent ACETONE-D6
Source File Reference UWGB1540