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4,9-Estradien-3,17-dione

View entire compound with spectra: 1 NMR, 3 FTIR, 1 Raman, and 4 MS (GC)

4,9-Estradien-3,17-dione
SpectraBase Compound ID EyMOhTYy8tU
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1
InChIKey BHTWZQKERRCPRZ-RYRKJORJSA-N
Mol Weight 270.37 g/mol
Molecular Formula C18H22O2
Exact Mass 270.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LPuUhQs5uGw
Name ESTRA-4,9-DIENE-3,17-DIONE;XTREN
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22O2
InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-16H,2-9H2,1H3/t15-,16+,18+/m1/s1
InChIKey BHTWZQKERRCPRZ-RYRKJORJSA-N
Literature Reference Author A.CLARKE,J.SCARTH,P.TEALE,C.PEARCE,L.HILLYER
Literature Reference Citation DRUG.TEST.ANAL.,3,74(2011)
Literature Reference DOI 10.1002/dta.250
Molecular Weight 270.371 g/mol
Sample ID 72221
Solvent CD3OD