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6,7-Dihydroxy-3-[(1'-methyl-1H-pyrrol-2'-yl)carbonyloxy]-tropane
SpectraBase Compound ID L3aVXyWh935
InChI InChI=1S/C14H20N2O4/c1-15-5-3-4-9(15)14(19)20-8-6-10-12(17)13(18)11(7-8)16(10)2/h3-5,8,10-13,17-18H,6-7H2,1-2H3/t8-,10+,11-,12+,13-
InChIKey MVCDWVMMIFQPIY-VNWITTHGSA-N
Mol Weight 280.32 g/mol
Molecular Formula C14H20N2O4
Exact Mass 280.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EgfAcGACIs2
Name 6,7-Dihydroxy-3-[(1'-methyl-1H-pyrrol-2'-yl)carbonyloxy]-tropane
Alternate Name(s) 3.alpha.-Hydroxy-4.alpha.-[(1'-methyl-1H-pyrrol-2'-yl)carbonyloxy]-tropane 6,7-Dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 1-methyl-1H-pyrrole-2-carboxylate Vaccinine A
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Formula C14H20N2O4
InChI InChI=1S/C14H20N2O4/c1-15-5-3-4-9(15)14(19)20-8-6-10-12(17)13(18)11(7-8)16(10)2/h3-5,8,10-13,17-18H,6-7H2,1-2H3/t8-,10+,11-,12+,13-
InChIKey MVCDWVMMIFQPIY-VNWITTHGSA-N
Molecular Weight 280.324 g/mol
SMILES O[C@]1([C@]2(N([C@@]([C@]1(O)[H])(C[C@](C2)(OC(c1[n](ccc1)C)=O)[H])[H])C)[H])[H]
SPLASH splash10-0bt9-2900000000-4daa4fddaf6f72b878ac
Source of Spectrum X2-68-1157-6
Wiley ID 1609678