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Estra-1,3,5(10)-trien-17-one

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Estra-1,3,5(10)-trien-17-one
SpectraBase Compound ID KCan30x3f8L
InChI InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3
InChIKey LGHBWDKMGOIZKH-UHFFFAOYSA-N
Mol Weight 254.37 g/mol
Molecular Formula C18H22O
Exact Mass 254.167065 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GBgylTt3zkj
Name ESTRA-1,3,5(10)-TRIEN-17-ONE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O
InChI InChI=1S/C18H22O/c1-18-11-10-14-13-5-3-2-4-12(13)6-7-15(14)16(18)8-9-17(18)19/h2-5,14-16H,6-11H2,1H3
InChIKey LGHBWDKMGOIZKH-UHFFFAOYSA-N
Literature Reference Author T.A.WITTSTRUCK,K.I.H.WILLIAMS
Literature Reference Citation J.ORG.CHEM.,38,1542(1973)
Literature Reference DOI 10.1021/jo00948a020
Molecular Weight 254.372 g/mol
Solvent DIOXANE
Source File Reference UNIW11540