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(4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol
SpectraBase Compound ID 2RrOxejZ4Sh
InChI InChI=1S/C19H22N2O4/c1-12-16-11-18(25-3)17(22)10-14(16)8-9-20(2)19(12)13-4-6-15(7-5-13)21(23)24/h4-7,10-12,19,22H,8-9H2,1-3H3/t12-,19-/m0/s1
InChIKey UNKKPZDGXNNBIJ-BUXKBTBVSA-N
Mol Weight 342.4 g/mol
Molecular Formula C19H22N2O4
Exact Mass 342.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ZAM1GREUJ0
Name (4S,5S)-7-methoxy-3,5-dimethyl-4-(4-nitrophenyl)-1,2,4,5-tetrahydro-3-benzazepin-8-ol
CAS Registry Number 88156-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22N2O4
InChI InChI=1S/C19H22N2O4/c1-12-16-11-18(25-3)17(22)10-14(16)8-9-20(2)19(12)13-4-6-15(7-5-13)21(23)24/h4-7,10-12,19,22H,8-9H2,1-3H3/t12-,19-/m0/s1
InChIKey UNKKPZDGXNNBIJ-BUXKBTBVSA-N
Molecular Weight 342.395 g/mol
SMILES Oc1c(cc2[C@@]([C@@](c3ccc(N(=O)=O)cc3)(N(CCc2c1)C)[H])(C)[H])OC
SPLASH splash10-01rf-0935000000-28cef6a6d74e9949de29
Source of Spectrum J-49-585-0
Wiley ID 1336560