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(11E)-(+-)-11-Ethylidene-7,8,9,10-tetrahydro-2-methoxy-7-methylene-5,9-mathanocycloocta[b]pyridine-5(6H)-carboxylic Acid Methyl Ester
SpectraBase Compound ID 4KonEoNEW4M
InChI InChI=1S/C18H21NO3/c1-5-13-12-8-11(2)10-18(13,17(20)22-4)14-6-7-16(21-3)19-15(14)9-12/h5-7,12H,2,8-10H2,1,3-4H3/b13-5+/t12-,18+/m1/s1
InChIKey WKXJTEXZUPNTDT-PTSDRCEHSA-N
Mol Weight 299.37 g/mol
Molecular Formula C18H21NO3
Exact Mass 299.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEvndvQ5arl
Name (11E)-(+-)-11-Ethylidene-7,8,9,10-tetrahydro-2-methoxy-7-methylene-5,9-mathanocycloocta[b]pyridine-5(6H)-carboxylic Acid Methyl Ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H21NO3
InChI InChI=1S/C18H21NO3/c1-5-13-12-8-11(2)10-18(13,17(20)22-4)14-6-7-16(21-3)19-15(14)9-12/h5-7,12H,2,8-10H2,1,3-4H3/b13-5+/t12-,18+/m1/s1
InChIKey WKXJTEXZUPNTDT-PTSDRCEHSA-N
Molecular Weight 299.370 g/mol
SMILES [C@]12(\C([C@](CC(C2)=C)(Cc2c1ccc(OC)n2)[H])=C\C)C(=O)OC
SPLASH splash10-0006-0090000000-3e01d89065015b84afca
Source of Spectrum J-58-7665-9
Synonyms methyl (13E)-13-ethylidene-5-methoxy-11-methylene-6-azatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-1-carboxylate
Wiley ID 1302175