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Estr-4-ene-3,7-dione, (9.beta.)-
SpectraBase Compound ID IwnurqUDv6g
InChI InChI=1S/C18H24O2/c1-18-7-2-3-15(18)17-14(6-8-18)13-5-4-12(19)9-11(13)10-16(17)20/h9,13-15,17H,2-8,10H2,1H3
InChIKey FBKSZKYHTZEZNA-UHFFFAOYSA-N
Mol Weight 272.39 g/mol
Molecular Formula C18H24O2
Exact Mass 272.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IEmIr4WXX3D
Name Estr-4-ene-3,7-dione, (9.beta.)-
Alternate Name(s) Estr-4-ene-3,7-dione 13-Methyl-1,2,6,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-dione 13-Methyl-1,2,6,8,9,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-quinone
CAS Registry Number 55622-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O2
InChI InChI=1S/C18H24O2/c1-18-7-2-3-15(18)17-14(6-8-18)13-5-4-12(19)9-11(13)10-16(17)20/h9,13-15,17H,2-8,10H2,1H3
InChIKey FBKSZKYHTZEZNA-UHFFFAOYSA-N
Molecular Weight 272.388 g/mol
SMILES C1(=O)C2C(C3C(C1)=CC(=O)CC3)CCC1(C2CCC1)C
SPLASH splash10-00di-1970000000-8bf3c230f56b5537cf4b
Source of Spectrum JZ-1992-2211-0
Wiley ID 1276584