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1-ALPHA-ETHYNYL-1,2,3,4,6,7,8,8A-BETA-OCTAHYDRO-8A-(TRIFLUOROMETHYL)-NAPHTHALENE-1-BETA,6-BETA-OL
SpectraBase Compound ID 2nRrfI0VdiY
InChI InChI=1S/C13H15F3O2/c1-2-11(18)6-3-4-9-8-10(17)5-7-12(9,11)13(14,15)16/h1,8,10,17-18H,3-7H2/t10-,11-,12+/m0/s1
InChIKey BUQXSOWPDYHACZ-SDDRHHMPSA-N
Mol Weight 260.26 g/mol
Molecular Formula C13H15F3O2
Exact Mass 260.102414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jc9sMNcHt0M
Name (1R,6S,8aR)-1-ethynyl-8a-(trifluoromethyl)-2,3,4,6,7,8-hexahydronaphthalene-1,6-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15F3O2
InChI InChI=1S/C13H15F3O2/c1-2-11(18)6-3-4-9-8-10(17)5-7-12(9,11)13(14,15)16/h1,8,10,17-18H,3-7H2/t10-,11-,12+/m0/s1
InChIKey BUQXSOWPDYHACZ-SDDRHHMPSA-N
Molecular Weight 260.256 g/mol
SMILES O[C@@]1(C=C2[C@@]([C@@](CCC2)(C#C)O)(CC1)C(F)(F)F)[H]
SPLASH splash10-00di-8920000000-2aa40aa3b626a7ec86d3
Source of Spectrum KC-0-1920-26
Wiley ID 822872