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9-Benzoyl-6-aza-7-oxabenzo[c]bicyclo[4.3.0]nonane isomer
SpectraBase Compound ID AkFBiadJF2c
InChI InChI=1S/C18H17NO2/c20-18(13-6-2-1-3-7-13)16-12-21-19-11-15-9-5-4-8-14(15)10-17(16)19/h1-9,16-17H,10-12H2
InChIKey KRLONTGMWLBHAR-UHFFFAOYSA-N
Mol Weight 279.34 g/mol
Molecular Formula C18H17NO2
Exact Mass 279.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ENZquKbhsHu
Name 9-Benzoyl-6-aza-7-oxabenzo[c]bicyclo[4.3.0]nonane isomer
Alternate Name(s) 3,3a,4,9-tetrahydro-2H-isoxazolo[2,3-b]isoquinolin-3-yl(phenyl)methanone
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Formula C18H17NO2
InChI InChI=1S/C18H17NO2/c20-18(13-6-2-1-3-7-13)16-12-21-19-11-15-9-5-4-8-14(15)10-17(16)19/h1-9,16-17H,10-12H2
InChIKey KRLONTGMWLBHAR-UHFFFAOYSA-N
Molecular Weight 279.339 g/mol
SMILES C1(C2N(Cc3c(C2)cccc3)OC1)C(=O)c1ccccc1
SPLASH splash10-0002-4930000000-863a05bc38c58ed6e7d2
Source of Spectrum F-50-12722-0
Wiley ID 789930