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Dimethyl (Z,1RS,5RS,6SR,7RS)-(8-benzyl-2-(ethoxycarbonyl)methylene-8-azabicyclo[3.2.1]octane)-6,7-dicarboxylate
SpectraBase Compound ID 6ev1Ny6280F
InChI InChI=1S/C22H27NO6/c1-4-29-17(24)12-15-10-11-16-18(21(25)27-2)19(22(26)28-3)20(15)23(16)13-14-8-6-5-7-9-14/h5-9,12,16,18-20H,4,10-11,13H2,1-3H3/b15-12-/t16-,18+,19+,20+/m1/s1
InChIKey HDZQESHNMRYZCS-ABBGYTETSA-N
Mol Weight 401.46 g/mol
Molecular Formula C22H27NO6
Exact Mass 401.183838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bu8ufGWl5Ut
Name Dimethyl (Z,1RS,5RS,6SR,7RS)-(8-benzyl-2-(ethoxycarbonyl)methylene-8-azabicyclo[3.2.1]octane)-6,7-dicarboxylate
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Formula C22H27NO6
InChI InChI=1S/C22H27NO6/c1-4-29-17(24)12-15-10-11-16-18(21(25)27-2)19(22(26)28-3)20(15)23(16)13-14-8-6-5-7-9-14/h5-9,12,16,18-20H,4,10-11,13H2,1-3H3/b15-12-/t16-,18+,19+,20+/m1/s1
InChIKey HDZQESHNMRYZCS-ABBGYTETSA-N
Molecular Weight 401.459 g/mol
SMILES [C@@]12(N([C@@]([C@@]([C@@]2(C(=O)OC)[H])(C(=O)OC)[H])(CC\C1=C/C(=O)OCC)[H])Cc1ccccc1)[H]
SPLASH splash10-0pbc-7093700000-fddb95d2b11d6bbe2612
Source of Spectrum F5-6-3192-Z-18a
Synonyms (1S,5S,6R,7S,Z)-dimethyl 8-benzyl-2-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-6,7-dicarboxylate
Wiley ID 1733609