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1-Hydroxy-4a-methyl-9-oxo-1-trifluoromethyl-trans-octahydrophenanthrene
SpectraBase Compound ID 8Py0m7saXNO
InChI InChI=1S/C16H17F3O2/c1-14-7-4-8-15(21,16(17,18)19)13(14)9-12(20)10-5-2-3-6-11(10)14/h2-3,5-6,13,21H,4,7-9H2,1H3/t13-,14-,15+/m1/s1
InChIKey LTOOLTJPABGPOS-KFWWJZLASA-N
Mol Weight 298.31 g/mol
Molecular Formula C16H17F3O2
Exact Mass 298.118064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15BlcMzASO
Name 1-Hydroxy-4a-methyl-9-oxo-1-trifluoromethyl-trans-octahydrophenanthrene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17F3O2
InChI InChI=1S/C16H17F3O2/c1-14-7-4-8-15(21,16(17,18)19)13(14)9-12(20)10-5-2-3-6-11(10)14/h2-3,5-6,13,21H,4,7-9H2,1H3/t13-,14-,15+/m1/s1
InChIKey LTOOLTJPABGPOS-KFWWJZLASA-N
Molecular Weight 298.305 g/mol
SMILES O[C@@]1([C@]2([C@@](c3ccccc3C(C2)=O)(CCC1)C)[H])C(F)(F)F
SPLASH splash10-0159-0390000000-33aaeb96684b2366afbc
Source of Spectrum F-50-11931-10
Synonyms (1R,4aS,10aR)-1-hydroxy-4a-methyl-1-(trifluoromethyl)-2,3,4,4a,10,10a-hexahydro-9(1H)-phenanthrenone (1S,4aS,10aR)-1-Hydroxy-4a-methyl-1-trifluoromethyl-2,3,4,4a,10,10a-hexahydro-1H-phenanthren-9-one
Wiley ID 789621