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Ushinsunine N-oxide
SpectraBase Compound ID GirJ3xo08Lj
InChI InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+,19?/m0/s1
InChIKey PQQSHMZUVWGXSV-PZEDNMLSSA-N
Mol Weight 311.34 g/mol
Molecular Formula C18H17NO4
Exact Mass 311.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GH4bOzIsi
Name Ushinsunine N-oxide
Alternate Name(s) (7aS,8R)-8-hydroxy-7-methyl-6,7,7a,8-tetrahydro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2,3-de]benzo[g]quinoline 7-oxide
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Formula C18H17NO4
InChI InChI=1S/C18H17NO4/c1-19(21)7-6-10-8-13-18(23-9-22-13)15-11-4-2-3-5-12(11)17(20)16(19)14(10)15/h2-5,8,16-17,20H,6-7,9H2,1H3/t16-,17+,19?/m0/s1
InChIKey PQQSHMZUVWGXSV-PZEDNMLSSA-N
Molecular Weight 311.337 g/mol
SMILES O[C@@]1(c2ccccc2-c2c3OCOc3cc3c2[C@]1([H])[N+](CC3)(C)[O-])[H]
SPLASH splash10-004l-0090000000-f63287f49f23ce63ff75
Source of Spectrum QA-35-306-1
Wiley ID 1794960