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5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-2-methoxy-6,8-dimethyl-7-nitro-, (5.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.)-(.+-.)-
SpectraBase Compound ID JmEauJNfM87
InChI InChI=1S/C16H19NO4/c1-8-13-7-10-6-11(21-3)4-5-12(10)14(16(13)18)9(2)15(8)17(19)20/h4-6,8-9,13-15H,7H2,1-3H3/t8-,9+,13+,14+,15-/m0/s1
InChIKey KUKMFUXBBYBMKL-LFNVJSRFSA-N
Mol Weight 289.33 g/mol
Molecular Formula C16H19NO4
Exact Mass 289.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 663Gg05wWFa
Name 5,9-Methanobenzocycloocten-11-one, 5,6,7,8,9,10-hexahydro-2-methoxy-6,8-dimethyl-7-nitro-, (5.alpha.,6.alpha.,7.beta.,8.alpha.,9.alpha.)-(.+-.)-
Alternate Name(s) (1R,9R,10S,11S,12R)-5-methoxy-10,12-dimethyl-11-nitrotricyclo[7.3.1.0(2,7)]trideca-2,4,6-trien-13-one rac-6,8-dimethyl-7-nitro-3'-methoxy-2,3-benzobicyclo[3.3.1]nonan-9-one
CAS Registry Number 130060-33-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO4
InChI InChI=1S/C16H19NO4/c1-8-13-7-10-6-11(21-3)4-5-12(10)14(16(13)18)9(2)15(8)17(19)20/h4-6,8-9,13-15H,7H2,1-3H3/t8-,9+,13+,14+,15-/m0/s1
InChIKey KUKMFUXBBYBMKL-LFNVJSRFSA-N
Molecular Weight 289.331 g/mol
SMILES C1([C@@]2([C@@](C)([C@@](N(=O)=O)([C@]([C@]1(Cc1cc(OC)ccc21)[H])(C)[H])[H])[H])[H])=O
SPLASH splash10-014i-6960000000-d79f04f881f9745a0d77
Source of Spectrum C-112-7635-14
Wiley ID 1292653