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(4S,5S)-7-methoxy-3-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SpectraBase Compound ID LHIP4KSeyQN
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+/m0/s1
InChIKey KEKQYUOUPFFUDE-BJKOFHAPSA-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 31Q8cDINvSE
Name (4S,5S)-7-methoxy-3-methyl-4-(4-nitrophenyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CAS Registry Number 88156-88-1
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+/m0/s1
InChIKey KEKQYUOUPFFUDE-BJKOFHAPSA-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-0268900000-8990f3087060ff7823cb
Source of Spectrum J-49-586-0
Wiley ID 1371404