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(1S,4aR,10aS)-2-benzyl-7-chloro-1-(3,4-dimethoxybenzyl)-5,5-dimethyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[b][1,7]naphthyridine

View entire compound with spectra: 1 MS (GC)

(1S,4aR,10aS)-2-benzyl-7-chloro-1-(3,4-dimethoxybenzyl)-5,5-dimethyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[b][1,7]naphthyridine
SpectraBase Compound ID AnBfQCg8pku
InChI InChI=1S/C30H35ClN2O2/c1-30(2)23-14-15-33(19-20-8-6-5-7-9-20)26(16-21-10-13-27(34-3)28(17-21)35-4)29(23)32-25-12-11-22(31)18-24(25)30/h5-13,17-18,23,26,29,32H,14-16,19H2,1-4H3/t23-,26-,29-/m0/s1
InChIKey WKFSCOYHTHMGKC-FSEMWLHASA-N
Mol Weight 491.1 g/mol
Molecular Formula C30H35ClN2O2
Exact Mass 490.238706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 76FXXj2MSro
Name (1S,4aR,10aS)-2-benzyl-7-chloro-1-(3,4-dimethoxybenzyl)-5,5-dimethyl-1,2,3,4,4a,5,10,10a-octahydrobenzo[b][1,7]naphthyridine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H35ClN2O2
InChI InChI=1S/C30H35ClN2O2/c1-30(2)23-14-15-33(19-20-8-6-5-7-9-20)26(16-21-10-13-27(34-3)28(17-21)35-4)29(23)32-25-12-11-22(31)18-24(25)30/h5-13,17-18,23,26,29,32H,14-16,19H2,1-4H3/t23-,26-,29-/m0/s1
InChIKey WKFSCOYHTHMGKC-FSEMWLHASA-N
Molecular Weight 491.075 g/mol
SMILES N1c2ccc(cc2C([C@@]2([C@]1([C@@](N(CC2)Cc1ccccc1)(Cc1cc(OC)c(cc1)OC)[H])[H])[H])(C)C)Cl
SPLASH splash10-000i-3419000000-c4d42c796ac55fca1ed3
Source of Spectrum H-84-2068-12
Synonyms (4aR)-2-Benzyl-7-chloro-1-(3'',4''-dimethoxybenzyl)-octahydro-5,5-dimethylbenzo[b]-(1,7)naphthyridine (4aR)-2-Benzyl-7-chloro-1-(3'',4''-dimethoxybenzyl)-octahydro-5,5-dimethylbenzo[b]-(1,7)naphthyridine
Wiley ID 847709