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9-Phenanthrenamine, N-(cyclopropylmethyl)-4b,5,6,7,8,8a,9,10-octahydro-3-methoxy-N,4b-dimethyl-, (4b.alpha.,8a.alpha.,9.beta.)-(.+-.)-
SpectraBase Compound ID 69LHHzAJ7Fw
InChI InChI=1S/C21H31NO/c1-21-11-5-4-6-18(21)20(22(2)14-15-7-8-15)12-16-9-10-17(23-3)13-19(16)21/h9-10,13,15,18,20H,4-8,11-12,14H2,1-3H3/t18-,20-,21-/m0/s1
InChIKey SMYSGJHQIPQUFU-JBACZVJFSA-N
Mol Weight 313.49 g/mol
Molecular Formula C21H31NO
Exact Mass 313.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 995mJQhlwCo
Name 9-Phenanthrenamine, N-(cyclopropylmethyl)-4b,5,6,7,8,8a,9,10-octahydro-3-methoxy-N,4b-dimethyl-, (4b.alpha.,8a.alpha.,9.beta.)-(.+-.)-
CAS Registry Number 94272-77-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO
InChI InChI=1S/C21H31NO/c1-21-11-5-4-6-18(21)20(22(2)14-15-7-8-15)12-16-9-10-17(23-3)13-19(16)21/h9-10,13,15,18,20H,4-8,11-12,14H2,1-3H3/t18-,20-,21-/m0/s1
InChIKey SMYSGJHQIPQUFU-JBACZVJFSA-N
Molecular Weight 313.485 g/mol
SMILES [C@]12(c3c(ccc(c3)OC)C[C@@]([C@@]1(CCCC2)[H])(N(CC1CC1)C)[H])C
SPLASH splash10-06xt-9245000000-bc23bd45eefc91d993cb
Source of Spectrum H-67-1601-0
Synonyms (4bS,8aR,9S)-N-(cyclopropylmethyl)-3-methoxy-N,4b-dimethyl-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenamine N-Cyclopropylmethyl-3-methoxy-4b-N-dimethyl-cis-4b,5,6,7,8,8a,9,10-octahydrophenanthren-9-amine (isomer b) N-[(4bS,8aR,9S)-3-methoxy-4b-methyl-4b,5,6,7,8,8a,9,10-octahydro-9-phenanthrenyl]-N-(cyclopropylmethyl)-N-methylamine
Wiley ID 1314477