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methyl 1-(indazole-1-carbonyl)bicyclo[2.2.2]octane-4-carboxylate
SpectraBase Compound ID 8xQquRi83Sj
InChI InChI=1S/C18H20N2O3/c1-23-16(22)18-9-6-17(7-10-18,8-11-18)15(21)20-14-5-3-2-4-13(14)12-19-20/h2-5,12H,6-11H2,1H3
InChIKey FVKQAZSPIXPBOR-UHFFFAOYSA-N
Mol Weight 312.37 g/mol
Molecular Formula C18H20N2O3
Exact Mass 312.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LHqG2zC0th
Name methyl 1-(indazole-1-carbonyl)bicyclo[2.2.2]octane-4-carboxylate
Appearance Yellow oily liquid
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Formula C18H20N2O3
InChI InChI=1S/C18H20N2O3/c1-23-16(22)18-9-6-17(7-10-18,8-11-18)15(21)20-14-5-3-2-4-13(14)12-19-20/h2-5,12H,6-11H2,1H3
InChIKey FVKQAZSPIXPBOR-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 312.369 g/mol
Reported Formula C18H20N2O3
SMILES c1cc2c(cc1)[n](nc2)C(=O)C12CCC(CC2)(CC1)C(OC)=O
SPLASH splash10-03di-0419000000-d9544847135be06f76bc
Source of Spectrum CN112679435A
Thin-Layer Chromatography Rf = 0.8 (PE/EA, 20:1)
Wiley ID 1877383