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(2-Fluoro-phenyl)-((1S,12bS)-1-phenyl-1,2,6,7,12,12b-hexahydro-pyrimido[1',6':1,2]pyrido[3,4-b]indol-3-yl)-methanone
SpectraBase Compound ID LStA78OAnFt
InChI InChI=1S/C27H24FN3O/c28-23-12-6-4-11-21(23)27(32)31-16-22(18-8-2-1-3-9-18)26-25-20(14-15-30(26)17-31)19-10-5-7-13-24(19)29-25/h1-13,22,26,29H,14-17H2/t22-,26+/m1/s1
InChIKey MBUHTOBFLKMZNS-GJZUVCINSA-N
Mol Weight 425.51 g/mol
Molecular Formula C27H24FN3O
Exact Mass 425.190341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9NADrT1LC5L
Name (2-Fluoro-phenyl)-((1S,12bS)-1-phenyl-1,2,6,7,12,12b-hexahydro-pyrimido[1',6':1,2]pyrido[3,4-b]indol-3-yl)-methanone
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Formula C27H24FN3O
InChI InChI=1S/C27H24FN3O/c28-23-12-6-4-11-21(23)27(32)31-16-22(18-8-2-1-3-9-18)26-25-20(14-15-30(26)17-31)19-10-5-7-13-24(19)29-25/h1-13,22,26,29H,14-17H2/t22-,26+/m1/s1
InChIKey MBUHTOBFLKMZNS-GJZUVCINSA-N
Molecular Weight 425.507 g/mol
SMILES [nH]1c2ccccc2c2CCN3[C@](c12)([C@](CN(C3)C(c1c(F)cccc1)=O)(c1ccccc1)[H])[H]
SPLASH splash10-0g4i-0900000000-6611f8e3c0bc9aae7ec4
Source of Spectrum SK-23-1793-5
Synonyms (1S,12bS)-3-(2-fluorobenzoyl)-1-phenyl-1,2,3,4,6,7,12,12b-octahydropyrimido[1',6':1,2]pyrido[3,4-b]indole 1-Phenyl-3-(2'-fluorobenzoyl)-octahydropyrimido[1',6' : 1,2]pyrido[3,4-b]indole
Wiley ID 865653