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3-(4-METHYLPHENYLSULFONYL)-3-AZATETRACYCLO-[3.2.0.0(2,7).0(4,6)]-HEPTANE
SpectraBase Compound ID 35Ua7BoGTzC
InChI InChI=1S/C13H13NO2S/c1-6-2-4-7(5-3-6)17(15,16)14-12-8-9(12)11-10(8)13(11)14/h2-5,8-13H,1H3/t8-,9+,10-,11+,12+,13-
InChIKey LYDMWQBVJKWBAF-QOHPJAFVSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 76yJcUaWdKt
Name 3-(4-METHYLPHENYLSULFONYL)-3-AZATETRACYCLO-[3.2.0.0(2,7).0(4,6)]-HEPTANE
Compound Number 29A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-6-2-4-7(5-3-6)17(15,16)14-12-8-9(12)11-10(8)13(11)14/h2-5,8-13H,1H3/t8-,9+,10-,11+,12+,13-
InChIKey LYDMWQBVJKWBAF-QOHPJAFVSA-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 247.312 g/mol
Solvent CDCl3
Source File Reference UWGB1539