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(13R*,13aS*)-7,8,13,13a-Tetrahydro-10,11-dimethoxy-13-phenyl-5H-isoindolo[1,2-b][3]benzazepin-5-one
SpectraBase Compound ID 69ydZ7CDF8g
InChI InChI=1S/C25H23NO3/c1-28-21-14-17-12-13-26-24(18-10-6-7-11-19(18)25(26)27)23(16-8-4-3-5-9-16)20(17)15-22(21)29-2/h3-11,14-15,23-24H,12-13H2,1-2H3/t23-,24-/m1/s1
InChIKey LWSUTLLZEKAWEM-DNQXCXABSA-N
Mol Weight 385.46 g/mol
Molecular Formula C25H23NO3
Exact Mass 385.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bz1DNDfdd0E
Name (13R*,13aS*)-7,8,13,13a-Tetrahydro-10,11-dimethoxy-13-phenyl-5H-isoindolo[1,2-b][3]benzazepin-5-one
Alternate Name(s) (13R,13aS)-10,11-dimethoxy-13-phenyl-7,8,13,13a-tetrahydro-5H-isoindolo[1,2-b][3]benzazepin-5-one
Comments Less than 3 mono-isotopic peaks
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Formula C25H23NO3
InChI InChI=1S/C25H23NO3/c1-28-21-14-17-12-13-26-24(18-10-6-7-11-19(18)25(26)27)23(16-8-4-3-5-9-16)20(17)15-22(21)29-2/h3-11,14-15,23-24H,12-13H2,1-2H3/t23-,24-/m1/s1
InChIKey LWSUTLLZEKAWEM-DNQXCXABSA-N
Molecular Weight 385.463 g/mol
SMILES [C@]12(N(CCc3cc(c(cc3[C@]2(c2ccccc2)[H])OC)OC)C(c2ccccc12)=O)[H]
SPLASH splash10-0f79-0079000000-38f403d6d9e14ef3a96c
Source of Spectrum F-55-5608-12
Wiley ID 837764