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((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-2-yl)-phenyl-methanone
SpectraBase Compound ID JeOjKBWJ81
InChI InChI=1S/C26H27NO3/c1-27-15-14-20-16-22(29-2)23(30-3)17-21(20)24(18-10-6-4-7-11-18)25(27)26(28)19-12-8-5-9-13-19/h4-13,16-17,24-25H,14-15H2,1-3H3/t24-,25-/m1/s1
InChIKey NMHFNKCSIZHCTM-JWQCQUIFSA-N
Mol Weight 401.51 g/mol
Molecular Formula C26H27NO3
Exact Mass 401.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyguOYY8WWj
Name ((1R*,2R*)-7,8-Dimethoxy-3-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-2-yl)-phenyl-methanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H27NO3
InChI InChI=1S/C26H27NO3/c1-27-15-14-20-16-22(29-2)23(30-3)17-21(20)24(18-10-6-4-7-11-18)25(27)26(28)19-12-8-5-9-13-19/h4-13,16-17,24-25H,14-15H2,1-3H3/t24-,25-/m1/s1
InChIKey NMHFNKCSIZHCTM-JWQCQUIFSA-N
Molecular Weight 401.506 g/mol
SMILES c12[C@]([C@](C(=O)c3ccccc3)(N(C)CCc1cc(c(c2)OC)OC)[H])(c1ccccc1)[H]
SPLASH splash10-0002-0090000000-ab98a066ba484c57e592
Source of Spectrum U1-2010-4399-1e
Synonyms (1R*,2R*)-7,8-Dimethoxy-2-benzoyl-N-methyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine [(4R,5R)-7,8-dimethoxy-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-4-yl]-phenylmethanone
Wiley ID 1664365