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rac-1,12-Ethano-1,2,3,10,11,12,12a,12b-octahydrodibenzo[de,gh][1,10]phenanthroline-5,6,7,8-tetrol
SpectraBase Compound ID 2O35di9d0NF
InChI InChI=1S/C20H20N2O4/c23-11-7-9-1-3-21-5-6-22-4-2-10-8-12(24)20(26)16-14(10)18(22)17(21)13(9)15(16)19(11)25/h7-8,17-18,23-26H,1-6H2/t17-,18-/m0/s1
InChIKey VJPZMLVIIQCNGI-ROUUACIJSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SsrtsupzZr
Name rac-1,12-Ethano-1,2,3,10,11,12,12a,12b-octahydrodibenzo[de,gh][1,10]phenanthroline-5,6,7,8-tetrol
Alternate Name(s) (3(1)S,14(1)S)-1,2,3(1),4,5,12,13,14(1)-octahydrodibenzo[de,gh]pyrazino[1,2,3,4-lmn][1,10]phenanthroline-7,8,9,10-tetraol
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Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c23-11-7-9-1-3-21-5-6-22-4-2-10-8-12(24)20(26)16-14(10)18(22)17(21)13(9)15(16)19(11)25/h7-8,17-18,23-26H,1-6H2/t17-,18-/m0/s1
InChIKey VJPZMLVIIQCNGI-ROUUACIJSA-N
Molecular Weight 352.390 g/mol
SMILES Oc1c2-c3c4[C@]5([C@@]6(c2c(cc1O)CCN6CCN5CCc4cc(c3O)O)[H])[H]
SPLASH splash10-0w29-0069000000-4574892e954bcc6fea26
Source of Spectrum H-63-959-rac_26
Wiley ID 1797475