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2-Methyl-4a.alpha.-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a.alpha.-decahydro-6.alpha.-isoquinolinol
SpectraBase Compound ID 3TD5MR50ZKd
InChI InChI=1S/C17H25NO2/c1-18-11-10-17(9-4-3-8-15(17)16(18)19)13-6-5-7-14(12-13)20-2/h5-7,12,15-16,19H,3-4,8-11H2,1-2H3/t15-,16?,17+/m0/s1
InChIKey WQINRQQBMIWXJE-RPCGPGEBSA-N
Mol Weight 275.39 g/mol
Molecular Formula C17H25NO2
Exact Mass 275.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID jP706JE7FF
Name 2-Methyl-4a.alpha.-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a.alpha.-decahydro-6.alpha.-isoquinolinol
CAS Registry Number 61528-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25NO2
InChI InChI=1S/C17H25NO2/c1-18-11-10-17(9-4-3-8-15(17)16(18)19)13-6-5-7-14(12-13)20-2/h5-7,12,15-16,19H,3-4,8-11H2,1-2H3/t15-,16?,17+/m0/s1
InChIKey WQINRQQBMIWXJE-RPCGPGEBSA-N
Molecular Weight 275.392 g/mol
SMILES OC1[C@]2([C@@](c3cc(OC)ccc3)(CCN1C)CCCC2)[H]
SPLASH splash10-00dl-9110000000-2d8dba09a500e330556b
Source of Spectrum J-54-1445-7
Synonyms 2-Methyl-4a.alpha.-(3-methoxyphenyl)-1,2,3,4,4a,5,6,7,8,8a.alpha.-decahydro-6.beta.-isoquinolinol (4aS,8aR)-4a-(3-methoxyphenyl)-2-methyldecahydro-1-isoquinolinol
Wiley ID 1279267