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(3aS,5aS,7aR,7bS)-4-fluoranyl-2,2-dimethyl-6,6-diphenyl-3a,5a,7a,7b-tetrahydrocyclobuta[g][1,3]benzodioxol-7-one
SpectraBase Compound ID IMGfFF566ON
InChI InChI=1S/C23H21FO3/c1-22(2)26-19-17(24)13-16-18(20(19)27-22)21(25)23(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,18-20H,1-2H3/t16-,18-,19-,20+/m1/s1
InChIKey XVSLGUQFFMFBGW-AFYVEPGGSA-N
Mol Weight 364.42 g/mol
Molecular Formula C23H21FO3
Exact Mass 364.147473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 41m0vn9ou
Name (3aS,5aS,7aR,7bS)-4-fluoranyl-2,2-dimethyl-6,6-diphenyl-3a,5a,7a,7b-tetrahydrocyclobuta[g][1,3]benzodioxol-7-one
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Formula C23H21FO3
InChI InChI=1S/C23H21FO3/c1-22(2)26-19-17(24)13-16-18(20(19)27-22)21(25)23(16,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,16,18-20H,1-2H3/t16-,18-,19-,20+/m1/s1
InChIKey XVSLGUQFFMFBGW-AFYVEPGGSA-N
Molecular Weight 364.416 g/mol
SMILES [C@@]12(C(=O)C([C@@]2(C=C([C@@]2([C@]1(OC(C)(C)O2)[H])[H])F)[H])(c1ccccc1)c1ccccc1)[H]
SPLASH splash10-02tc-0923000000-e101e535b648092a63d5
Source of Spectrum KC-1992-1619-19
Synonyms (3aS,5aS,7aR,7bS)-4-fluoro-2,2-dimethyl-6,6-diphenyl-3a,5a,7a,7b-tetrahydrocyclobuta[g][1,3]benzodioxol-7-one
Wiley ID 776460