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2-Methyl-4a.alpha.-(3-methoxyphenyl)-2,3,4,4a,5,6,7,8-octahydro-6.beta.-isoquinolinol acetate
SpectraBase Compound ID 27QhpSWkg9n
InChI InChI=1S/C19H25NO3/c1-14(21)23-18-8-7-16-13-20(2)10-9-19(16,12-18)15-5-4-6-17(11-15)22-3/h4-6,11,13,18H,7-10,12H2,1-3H3/t18-,19-/m1/s1
InChIKey BNIQHZFDPYWCSY-RTBURBONSA-N
Mol Weight 315.41 g/mol
Molecular Formula C19H25NO3
Exact Mass 315.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dKrKlUTs0P
Name 2-Methyl-4a.alpha.-(3-methoxyphenyl)-2,3,4,4a,5,6,7,8-octahydro-6.beta.-isoquinolinol acetate
CAS Registry Number 118724-81-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO3
InChI InChI=1S/C19H25NO3/c1-14(21)23-18-8-7-16-13-20(2)10-9-19(16,12-18)15-5-4-6-17(11-15)22-3/h4-6,11,13,18H,7-10,12H2,1-3H3/t18-,19-/m1/s1
InChIKey BNIQHZFDPYWCSY-RTBURBONSA-N
Molecular Weight 315.413 g/mol
SMILES [C@@]12(C(=CN(CC2)C)CC[C@@](OC(=O)C)(C1)[H])c1cc(OC)ccc1
SPLASH splash10-05mk-0975000000-5c31a6338072e0060a41
Source of Spectrum J-54-1444-17
Synonyms (4aR,6R)-4a-(3-methoxyphenyl)-2-methyl-2,3,4,4a,5,6,7,8-octahydro-6-isoquinolinyl acetate 2-Methyl-4a.alpha.-(3-methoxyphenyl)-2,3,4,4a,5,6,7,8-octahydro-6.breta.-isoquinolinol acetate
Wiley ID 1316115