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3-METHOXY-6-OXAESTRA-1,3,5(10),8(9),15(16)-PENTAEN-17-ONE
SpectraBase Compound ID BwCxa50Jngo
InChI InChI=1S/C18H18O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-6,9,15H,7-8,10H2,1-2H3
InChIKey GRMZADAPCYWHHE-UHFFFAOYSA-N
Mol Weight 282.34 g/mol
Molecular Formula C18H18O3
Exact Mass 282.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73XA3PW5QR2
Name 3-METHOXY-6-OXAESTRA-1,3,5(10),8(9),15(16)-PENTAEN-17-ONE
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18O3
InChI InChI=1S/C18H18O3/c1-18-8-7-12-13-4-3-11(20-2)9-16(13)21-10-14(12)15(18)5-6-17(18)19/h3-6,9,15H,7-8,10H2,1-2H3
InChIKey GRMZADAPCYWHHE-UHFFFAOYSA-N
Literature Reference Author Z.CAO,J.G.LIEHR
Literature Reference Citation J.CHEM.SOC.PERKIN-1,841(1996)
Literature Reference DOI 10.1039/p19960000841
Molecular Weight 282.339 g/mol
Solvent CDCl3
Source File Reference WANG2016