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6-Bromo-7-[(3'-oxo-1'-azabicyclo[4.3.0]nonan-1'-yl)methyl]-1,3-benzo[4,5-a]dioxolane
SpectraBase Compound ID Grp81XaStsi
InChI InChI=1S/C16H18BrNO3/c17-13-7-16-15(20-9-21-16)5-11(13)8-18-4-3-10-1-2-12(19)6-14(10)18/h5,7,10,14H,1-4,6,8-9H2/t10-,14-/m1/s1
InChIKey PBYCEOCJJGVPOJ-QMTHXVAHSA-N
Mol Weight 352.23 g/mol
Molecular Formula C16H18BrNO3
Exact Mass 351.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lOfVyp3aqI
Name 6-Bromo-7-[(3'-oxo-1'-azabicyclo[4.3.0]nonan-1'-yl)methyl]-1,3-benzo[4,5-a]dioxolane
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Formula C16H18BrNO3
InChI InChI=1S/C16H18BrNO3/c17-13-7-16-15(20-9-21-16)5-11(13)8-18-4-3-10-1-2-12(19)6-14(10)18/h5,7,10,14H,1-4,6,8-9H2/t10-,14-/m1/s1
InChIKey PBYCEOCJJGVPOJ-QMTHXVAHSA-N
Molecular Weight 352.228 g/mol
SMILES [C@@]12(N(CC[C@]1(CCC(C2)=O)[H])Cc1c(cc2c(c1)OCO2)Br)[H]
SPLASH splash10-0ikm-0594000000-03345de7199782b1ce00
Source of Spectrum D1-328-2230-6
Synonyms (3aR,7aR)-1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-indol-6-one
Wiley ID 1548435