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CIS-CORE

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CIS-CORE
SpectraBase Compound ID 33EGOvmPdaO
InChI InChI=1S/C16H12O3/c17-16-11-6-2-4-8-13(11)19-14-9-18-12-7-3-1-5-10(12)15(14)16/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKey YMAFBYZMZOUTKO-LSDHHAIUSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5RNb1QpwZE
Name CIS-6A,12A-DIHYDRO-ROTOXEN-12-(6H)-ONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H12O3
InChI InChI=1S/C16H12O3/c17-16-11-6-2-4-8-13(11)19-14-9-18-12-7-3-1-5-10(12)15(14)16/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKey YMAFBYZMZOUTKO-LSDHHAIUSA-N
Literature Reference Author L.CROMBIE,J.L.JOSEPHS
Literature Reference Citation J.CHEM.SOC.PERKIN-1,2591(1993)
Molecular Weight 252.269 g/mol
Solvent C6D6
Source File Reference UWRU3479