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Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-(4-fluorobenzoyl)-2,8-dimethyl-
SpectraBase Compound ID CEpn8dS68jP
InChI InChI=1S/C20H21FN2O/c1-13-3-8-18-16(11-13)17-12-22(2)10-9-19(17)23(18)20(24)14-4-6-15(21)7-5-14/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1
InChIKey AVCYXRKRGKMSCJ-HKUYNNGSSA-N
Mol Weight 324.4 g/mol
Molecular Formula C20H21FN2O
Exact Mass 324.163791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2MPi1IJGO8
Name Pyrido[4,3-b]indole, 1,2,3,4,4a,9b-hexahydro-5-(4-fluorobenzoyl)-2,8-dimethyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21FN2O
InChI InChI=1S/C20H21FN2O/c1-13-3-8-18-16(11-13)17-12-22(2)10-9-19(17)23(18)20(24)14-4-6-15(21)7-5-14/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1
InChIKey AVCYXRKRGKMSCJ-HKUYNNGSSA-N
Molecular Weight 324.399 g/mol
SMILES Cc1ccc2N([C@@]3([C@](CN(CC3)C)([H])c2c1)[H])C(c1ccc(cc1)F)=O
SPLASH splash10-0abc-9200000000-89f51c0e69bf58fb58cd
Source of Spectrum AD-0-2532-0
Synonyms 5-(4-Fluorobenzoyl)-2,8-dimethyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(4-fluorophenyl)methanone [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]-(4-fluorophenyl)methanone
Wiley ID 1426248