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(3aR,7R)-3,3a,4,5,6,7-Hexahydro-7-(4-fluorophenyl)-cyclohexa[c]isoxazole
SpectraBase Compound ID 3H4g4JQJLWe
InChI InChI=1S/C13H14FNO/c14-11-6-4-9(5-7-11)12-3-1-2-10-8-16-15-13(10)12/h4-7,10,12H,1-3,8H2/t10-,12+/m0/s1
InChIKey QEWZHOGDOQSVJF-CMPLNLGQSA-N
Mol Weight 219.26 g/mol
Molecular Formula C13H14FNO
Exact Mass 219.105942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID y3CPWDxCq
Name (3aR,7R)-3,3a,4,5,6,7-Hexahydro-7-(4-fluorophenyl)-cyclohexa[c]isoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14FNO
InChI InChI=1S/C13H14FNO/c14-11-6-4-9(5-7-11)12-3-1-2-10-8-16-15-13(10)12/h4-7,10,12H,1-3,8H2/t10-,12+/m0/s1
InChIKey QEWZHOGDOQSVJF-CMPLNLGQSA-N
Molecular Weight 219.259 g/mol
SMILES C12=NOC[C@@]2(CCC[C@@]1(c1ccc(cc1)F)[H])[H]
SPLASH splash10-0cds-2900000000-68a7d941a6fd8714cf3d
Source of Spectrum F-55-7123-9
Synonyms (3aR,7R)-7-(4-fluorophenyl)-3,3a,4,5,6,7-hexahydro-2,1-benzisoxazole cis-3,3a,4,5,6,7-Hexahydro-7-(4-fluorophenyl)cyclohexa[c]isoxazole
Wiley ID 838152