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(1S,3R,4aR)-6,7-Dimethoxy-1-(4-nitro-phenyl)-3-phenyl-4,4a,9,10-tetrahydro-3H-2-oxa-10a-aza-phenanthrene
SpectraBase Compound ID n838wmiUWK
InChI InChI=1S/C26H26N2O5/c1-31-24-14-19-12-13-27-22(21(19)15-25(24)32-2)16-23(17-6-4-3-5-7-17)33-26(27)18-8-10-20(11-9-18)28(29)30/h3-11,14-15,22-23,26H,12-13,16H2,1-2H3/t22-,23-,26+/m1/s1
InChIKey MWNNSIRPOCZUED-PLXFJCCSSA-N
Mol Weight 446.5 g/mol
Molecular Formula C26H26N2O5
Exact Mass 446.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HJY1MAkB27d
Name (1S,3R,4aR)-6,7-Dimethoxy-1-(4-nitro-phenyl)-3-phenyl-4,4a,9,10-tetrahydro-3H-2-oxa-10a-aza-phenanthrene
Comments Less than 3 mono-isotopic peaks
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Formula C26H26N2O5
InChI InChI=1S/C26H26N2O5/c1-31-24-14-19-12-13-27-22(21(19)15-25(24)32-2)16-23(17-6-4-3-5-7-17)33-26(27)18-8-10-20(11-9-18)28(29)30/h3-11,14-15,22-23,26H,12-13,16H2,1-2H3/t22-,23-,26+/m1/s1
InChIKey MWNNSIRPOCZUED-PLXFJCCSSA-N
Molecular Weight 446.503 g/mol
SMILES [C@]12(N(CCc3c2cc(c(c3)OC)OC)[C@@](O[C@](C1)(c1ccccc1)[H])(c1ccc(N(=O)=O)cc1)[H])[H]
SPLASH splash10-03di-0009000000-f9b604ad46a76d9eacd8
Source of Spectrum F-59-1957-11
Synonyms (2R*,4S*,11bR*)-9,10-Dimethoxy-2-phenyl-4-(p-nitrophenyl)-1,6,7,11b-tetrahydro-2H,4H-1,3-oxazino[4,3-a]isoquinoline
Wiley ID 1677412