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(1S,9S,12R)-12-Methoxycarbonyl-5-methoxy-8-oxo-11-aza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-triene-11-carboxylicacid methyl ester
SpectraBase Compound ID GF52gIkpp7j
InChI InChI=1S/C17H19NO6/c1-22-10-4-5-11-12-6-9(15(19)13(11)7-10)8-18(17(21)24-3)14(12)16(20)23-2/h4-5,7,9,12,14H,6,8H2,1-3H3/t9-,12-,14+/m0/s1
InChIKey HQWWZMAXUCOMOI-DUFXMDAXSA-N
Mol Weight 333.34 g/mol
Molecular Formula C17H19NO6
Exact Mass 333.121237 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gwwikae1u3t
Name (1S,9S,12R)-12-Methoxycarbonyl-5-methoxy-8-oxo-11-aza-tricyclo[7.3.1.0(2,7)]trideca-2(7),3,5-triene-11-carboxylicacid methyl ester
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Formula C17H19NO6
InChI InChI=1S/C17H19NO6/c1-22-10-4-5-11-12-6-9(15(19)13(11)7-10)8-18(17(21)24-3)14(12)16(20)23-2/h4-5,7,9,12,14H,6,8H2,1-3H3/t9-,12-,14+/m0/s1
InChIKey HQWWZMAXUCOMOI-DUFXMDAXSA-N
Literature Reference DOI 10.1002/cjoc.20040220929
Molecular Weight 333.340 g/mol
SMILES [C@]12(c3ccc(cc3C([C@](CN([C@]2(C(=O)OC)[H])C(=O)OC)(C1)[H])=O)OC)[H]
SPLASH splash10-00di-3090000000-2830031dc7447d34f370
Source of Spectrum CJC-22-1027-13
Synonyms (1S,2R,5S)-dimethyl 8-methoxy-6-oxo-1,2,5,6-tetrahydro-1,5-methanobenzo[d]azocine-2,3(4H)-dicarboxylate
Wiley ID 1774106