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[1R-[1.beta.(1R*,4R*),3a.alpha.,4.beta.,7a.beta.)]]-.beta.-fluorooctahydro-4-hydroxy-.alpha.,.alpha.,epsilon.,7a-tetramethyl-1H-indene-1-pentanol
SpectraBase Compound ID Ilxp6jWRXa1
InChI InChI=1S/C18H33FO2/c1-12(7-10-16(19)17(2,3)21)13-8-9-14-15(20)6-5-11-18(13,14)4/h12-16,20-21H,5-11H2,1-4H3/t12-,13+,14-,15-,16?,18+/m1/s1
InChIKey GELPMHGXMYGWBX-MDHDICEZSA-N
Mol Weight 300.5 g/mol
Molecular Formula C18H33FO2
Exact Mass 300.246458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARYioTdGBJj
Name [1R-[1.beta.(1R*,4R*),3a.alpha.,4.beta.,7a.beta.)]]-.beta.-fluorooctahydro-4-hydroxy-.alpha.,.alpha.,epsilon.,7a-tetramethyl-1H-indene-1-pentanol
Alternate Name(s) (1S,3aS,4R,7aS)-1-(4-fluoro-5-hydroxy-1,5-dimethylhexyl)-7a-methyloctahydro-1H-inden-4-ol
CAS Registry Number 112139-02-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H33FO2
InChI InChI=1S/C18H33FO2/c1-12(7-10-16(19)17(2,3)21)13-8-9-14-15(20)6-5-11-18(13,14)4/h12-16,20-21H,5-11H2,1-4H3/t12-,13+,14-,15-,16?,18+/m1/s1
InChIKey GELPMHGXMYGWBX-MDHDICEZSA-N
Molecular Weight 300.458 g/mol
SMILES OC(C(CC[C@]([C@]1([C@]2([C@@]([C@@](CCC2)(O)[H])(CC1)[H])C)[H])(C)[H])F)(C)C
SPLASH splash10-03di-0900000000-82b44752db9af75fd0cd
Source of Spectrum J-53-1045-25
Wiley ID 1303156