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RSGQYLIULFUJKG-KDOFPFPSSA-N

View entire compound with spectra: 1 NMR, and 1 MS (GC)

RSGQYLIULFUJKG-KDOFPFPSSA-N
SpectraBase Compound ID 6eKkccupKJ5
InChI InChI=1S/C21H21N3O4/c1-26-21(25)3-2-14-11-24-5-4-13-6-19-20(28-12-27-19)8-17(13)18(24)7-16(14)15(9-22)10-23/h6,8,14,18H,2-5,7,11-12H2,1H3/t14-,18+/m1/s1
InChIKey RSGQYLIULFUJKG-KDOFPFPSSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YbzJM4V3g
Name 3-[(3S,12bS)-2-(dicyanomethylene)-1,3,4,6,7,12b-hexahydro-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propionic acid methyl ester
Alternate Name(s) 3-[(3S,12bS)-2-(dicyanomethylidene)-1,3,4,6,7,12b-hexahydro-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoic acid methyl ester Methyl 3-[(3S,12bS)-2-(dicyanomethylene)-1,3,4,6,7,12b-hexahydro-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate Methyl 3-[(3S,12bS)-2-(dicyanomethylidene)-1,3,4,6,7,12b-hexahydro-[1,3]benzodioxolo[6,5-a]quinolizin-3-yl]propanoate
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Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-26-21(25)3-2-14-11-24-5-4-13-6-19-20(28-12-27-19)8-17(13)18(24)7-16(14)15(9-22)10-23/h6,8,14,18H,2-5,7,11-12H2,1H3/t14-,18+/m1/s1
InChIKey RSGQYLIULFUJKG-KDOFPFPSSA-N
Molecular Weight 379.416 g/mol
SMILES [C@@]12(N(CCc3cc4OCOc4cc23)C[C@](C(C1)=C(C#N)C#N)(CCC(=O)OC)[H])[H]
SPLASH splash10-004i-0829000000-26013228b40bb93c9bca
Source of Spectrum H1-39-454-6
Wiley ID 756777