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3a,4-trans-3a,6a-cis-3-(2-fluorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
SpectraBase Compound ID LQCzn72ojfv
InChI InChI=1S/C12H12FNO2/c13-8-4-2-1-3-7(8)12-11-9(15)5-6-10(11)16-14-12/h1-4,9-11,15H,5-6H2/t9-,10+,11-/m0/s1
InChIKey IMTDZXOYSOVJEK-AXFHLTTASA-N
Mol Weight 221.23 g/mol
Molecular Formula C12H12FNO2
Exact Mass 221.085207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ACenj7Cz26J
Name 3a,4-trans-3a,6a-cis-3-(2-fluorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
Alternate Name(s) (3aS,4S,6aR)-3-(2-fluorophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazol-4-ol 3a,4-cis-3a,6a-cis-3-(2-fluorophenyl)-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole-4-ol
Comments Less than 3 mono-isotopic peaks
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Formula C12H12FNO2
InChI InChI=1S/C12H12FNO2/c13-8-4-2-1-3-7(8)12-11-9(15)5-6-10(11)16-14-12/h1-4,9-11,15H,5-6H2/t9-,10+,11-/m0/s1
InChIKey IMTDZXOYSOVJEK-AXFHLTTASA-N
Molecular Weight 221.231 g/mol
SMILES O[C@@]1([C@@]2(C(=NO[C@@]2(CC1)[H])c1c(F)cccc1)[H])[H]
SPLASH splash10-03di-0910000000-6ac8e50229e6915c4335
Source of Spectrum QB-20-123-2
Wiley ID 842190