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Estr-4-en-3-one
SpectraBase Compound ID KlOQJagWixk
InChI InChI=1S/C18H26O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h11,14-17H,2-10H2,1H3
InChIKey JFEPJTGMGDGPHJ-UHFFFAOYSA-N
Mol Weight 258.4 g/mol
Molecular Formula C18H26O
Exact Mass 258.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEwoY1tFgDB
Name Estr-4-en-3-one
CAS Registry Number 4811-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26O
InChI InChI=1S/C18H26O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h11,14-17H,2-10H2,1H3
InChIKey JFEPJTGMGDGPHJ-UHFFFAOYSA-N
Molecular Weight 258.405 g/mol
SMILES CC12CCCC2C2CCC3=CC(=O)CCC3C2CC1
SPLASH splash10-01r7-9810000000-a713a84f1b42875f94be
Source of Spectrum SD-1981-0-0
Synonyms 13-Methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
Wiley ID 1262288