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2-spiro[4H-imidazo[4,5-e]pyridine-2,1'-cyclohexane]-5-ylidenemalonic acid diethyl ester
SpectraBase Compound ID FOB4O6cDLOo
InChI InChI=1S/C18H23N3O4/c1-3-24-16(22)14(17(23)25-4-2)12-8-9-13-15(19-12)21-18(20-13)10-6-5-7-11-18/h8-9H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKey CDFJYCQBGDGTQR-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C18H23N3O4
Exact Mass 345.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDa6EpxL7Im
Name 5'-[(Diethoxycarbonyl)methylenespiro[cyclohexane-1,2'(4'H)-2' H-imidazo[4,5-b]pyridine
Alternate Name(s) [5'-Diethoxycarbonyl)methylene]-spiro{cyclohexane-1,2'(4'H)-(2'H)-imidazo[4,5-b]pyridine} 2-(5-spiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]ylidene)propanedioic acid diethyl ester diethyl 2-spiro[4H-imidazo[4,5-b]pyridine-2,1'-cyclohexane]-5-ylidenepropanedioate
Comments Less than 3 mono-isotopic peaks
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Formula C18H23N3O4
InChI InChI=1S/C18H23N3O4/c1-3-24-16(22)14(17(23)25-4-2)12-8-9-13-15(19-12)21-18(20-13)10-6-5-7-11-18/h8-9H,3-7,10-11H2,1-2H3,(H,19,21)
InChIKey CDFJYCQBGDGTQR-UHFFFAOYSA-N
Molecular Weight 345.399 g/mol
SMILES N1C(C=CC2=NC3(N=C12)CCCCC3)=C(C(=O)OCC)C(=O)OCC
SPLASH splash10-0002-0093000000-c15b7c9a5b010d6326ec
Source of Spectrum Y-36-122-4
Wiley ID 762303