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(6aS,8S,9R,11S)-9-fluoro-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepine

View entire compound with spectra: 1 MS (GC)

(6aS,8S,9R,11S)-9-fluoro-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepine
SpectraBase Compound ID 3afmicXHgUw
InChI InChI=1S/C17H18FNO3/c1-20-15-5-14-11(3-13(15)18)12-7-19(14)6-9-2-16-17(4-10(9)12)22-8-21-16/h2-4,12-15H,5-8H2,1H3/t12-,13+,14-,15-/m0/s1
InChIKey KXYJSHROOVJNKG-XGUBFFRZSA-N
Mol Weight 303.33 g/mol
Molecular Formula C17H18FNO3
Exact Mass 303.127072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QvFcyLMj8o
Name (6aS,8S,9R,11S)-9-fluoro-8-methoxy-5,6a,7,8,9,11-hexahydro-6,11-methano[1,3]dioxolo[4',5':4,5]benzo[1,2-e]benzo[b]azepine
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Formula C17H18FNO3
InChI InChI=1S/C17H18FNO3/c1-20-15-5-14-11(3-13(15)18)12-7-19(14)6-9-2-16-17(4-10(9)12)22-8-21-16/h2-4,12-15H,5-8H2,1H3/t12-,13+,14-,15-/m0/s1
InChIKey KXYJSHROOVJNKG-XGUBFFRZSA-N
Molecular Weight 303.333 g/mol
SMILES c1c2OCOc2cc2c1CN1C[C@@]2(C=2[C@@]1(C[C@@]([C@@](C2)(F)[H])(OC)[H])[H])[H]
SPLASH splash10-0udi-0349000000-a6489b51702c7871ca02
Source of Spectrum A1-11-1491/SMS3-8
Wiley ID 1756648