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2,8-Dimethyl-5-(4-nitrobenzoyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID F5q5mrMckPv
InChI InChI=1S/C20H21N3O3/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)20(24)14-4-6-15(7-5-14)23(25)26/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1
InChIKey QYHGDUIFCYJAES-HKUYNNGSSA-N
Mol Weight 351.41 g/mol
Molecular Formula C20H21N3O3
Exact Mass 351.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E80Symnf30p
Name 2,8-Dimethyl-5-(4-nitrobenzoyl)-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole
CAS Registry Number 293727-67-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O3
InChI InChI=1S/C20H21N3O3/c1-13-3-8-18-16(11-13)17-12-21(2)10-9-19(17)22(18)20(24)14-4-6-15(7-5-14)23(25)26/h3-8,11,17,19H,9-10,12H2,1-2H3/t17-,19-/m0/s1
InChIKey QYHGDUIFCYJAES-HKUYNNGSSA-N
Molecular Weight 351.406 g/mol
SMILES Cc1ccc2N([C@@]3([C@](CN(CC3)C)([H])c2c1)[H])C(c1ccc(N(=O)=O)cc1)=O
SPLASH splash10-0a4i-9100000000-064c88e641be64fb9cca
Source of Spectrum AD-0-2532-0
Synonyms 1H-Pyrido[4,3-b]indole, 2,3,4,4a,5,9b-hexahydro-2,8-dimethyl-5-(4-nitrobenzoyl)-, (4ar,9bs)-rel- [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-5-yl]-(4-nitrophenyl)methanone [(4aS,9bR)-2,8-dimethyl-3,4,4a,9b-tetrahydro-1H-pyrid[4,3-b]indol-5-yl]-(4-nitrophenyl)methanone
Wiley ID 1430609