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Estra-2,5(10)-diene-1,4,17-trione
SpectraBase Compound ID 26UqZMeoXyM
InChI InChI=1S/C18H20O3/c1-18-9-8-11-10(13(18)4-7-16(18)21)2-3-12-14(19)5-6-15(20)17(11)12/h5-6,10-11,13H,2-4,7-9H2,1H3/t10-,11+,13+,18+/m1/s1
InChIKey OEGSPOKFPURXOI-SXFBXUMFSA-N
Mol Weight 284.36 g/mol
Molecular Formula C18H20O3
Exact Mass 284.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DiWh6fuTnc7
Name Estra-2,5(10)-diene-1,4,17-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O3
InChI InChI=1S/C18H20O3/c1-18-9-8-11-10(13(18)4-7-16(18)21)2-3-12-14(19)5-6-15(20)17(11)12/h5-6,10-11,13H,2-4,7-9H2,1H3/t10-,11+,13+,18+/m1/s1
InChIKey OEGSPOKFPURXOI-SXFBXUMFSA-N
Molecular Weight 284.355 g/mol
SMILES C1=2[C@@]3([C@@]([C@@]4(CCC([C@]4(CC3)C)=O)[H])([H])CCC2C(=O)C=CC1=O)[H]
SPLASH splash10-0acc-9050000000-ba507019167b53420309
Source of Spectrum F-53-14080-1
Wiley ID 804080