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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 JncmtSpbUfS
Name Estra-1,3,5(10)-trien-17-one
CAS Registry Number 53-45-2
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian HA-100
Literature Reference T.A. Wittstruck, K.I. Williams, J. Org. Chem. 38, 1542 (1973).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Dioxane