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cis-7-Hydroxy-8-methoxy-3-methyl-2-(p-nitrophenyl)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
SpectraBase Compound ID EAXLkN5a8Sb
InChI InChI=1S/C24H24N2O4/c1-25-13-12-18-14-21(27)22(30-2)15-20(18)23(16-6-4-3-5-7-16)24(25)17-8-10-19(11-9-17)26(28)29/h3-11,14-15,23-24,27H,12-13H2,1-2H3/t23-,24-/m1/s1
InChIKey KEKQYUOUPFFUDE-DNQXCXABSA-N
Mol Weight 404.47 g/mol
Molecular Formula C24H24N2O4
Exact Mass 404.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eTDcqlgpUZ
Name cis-7-Hydroxy-8-methoxy-3-methyl-2-(p-nitrophenyl)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
Alternate Name(s) (1R,2S)-8-methoxy-3-methyl-2-(4-nitrophenyl)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
CAS Registry Number 88156-89-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N2O4
InChI InChI=1S/C24H24N2O4/c1-25-13-12-18-14-21(27)22(30-2)15-20(18)23(16-6-4-3-5-7-16)24(25)17-8-10-19(11-9-17)26(28)29/h3-11,14-15,23-24,27H,12-13H2,1-2H3/t23-,24-/m1/s1
InChIKey KEKQYUOUPFFUDE-DNQXCXABSA-N
Molecular Weight 404.466 g/mol
SMILES Oc1c(cc2[C@]([C@](N(C)CCc2c1)(c1ccc(N(=O)=O)cc1)[H])(c1ccccc1)[H])OC
SPLASH splash10-0w4i-0257900000-6f9e4b07e743aabc17ab
Source of Spectrum J-49-586-0
Wiley ID 1371405