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(1R*,2R*)-7,8-Dimethoxy-2-acetyl-N-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SpectraBase Compound ID 9pd1BkE9Vak
InChI InChI=1S/C21H25NO3/c1-14(23)21-20(15-8-6-5-7-9-15)17-13-19(25-4)18(24-3)12-16(17)10-11-22(21)2/h5-9,12-13,20-21H,10-11H2,1-4H3/t20-,21+/m1/s1
InChIKey YJJYTOZNMATZID-RTWAWAEBSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CbmAddFuju5
Name (1R*,2R*)-7,8-Dimethoxy-2-acetyl-N-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Comments Less than 3 mono-isotopic peaks
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Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-14(23)21-20(15-8-6-5-7-9-15)17-13-19(25-4)18(24-3)12-16(17)10-11-22(21)2/h5-9,12-13,20-21H,10-11H2,1-4H3/t20-,21+/m1/s1
InChIKey YJJYTOZNMATZID-RTWAWAEBSA-N
Molecular Weight 339.435 g/mol
SMILES c12[C@]([C@@](N(C)CCc2cc(c(c1)OC)OC)(C(=O)C)[H])(c1ccccc1)[H]
SPLASH splash10-0002-0090000000-b45173f3b692d445d4e8
Source of Spectrum U1-2010-4399-1d
Synonyms 1-((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-2-yl)-ethanone
Wiley ID 1664366