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trans-1-(4-Methylphenyl)-2-methyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine

View entire compound with spectra: 1 MS (GC)

trans-1-(4-Methylphenyl)-2-methyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
SpectraBase Compound ID 6ttI8s0HSkK
InChI InChI=1S/C25H24N2/c1-18-12-14-20(15-13-18)23-25(2,21-9-4-3-5-10-21)24-26-22-11-7-6-8-19(22)16-17-27(23)24/h3-15,23H,16-17H2,1-2H3/t23-,25-/m0/s1
InChIKey NELYVDSJZXMCMU-ZCYQVOJMSA-N
Mol Weight 352.48 g/mol
Molecular Formula C25H24N2
Exact Mass 352.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FXzplF9qd9t
Name trans-1-(4-Methylphenyl)-2-methyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
Alternate Name(s) (1S,2S)-2-methyl-1-(4-methylphenyl)-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine (1S,2S)-2-Methyl-2-phenyl-1-p-tolyl-1,2,8,9-tetrahydro-3,9a-diaza-benzo[a]cyclobuta[d]cycloheptene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2
InChI InChI=1S/C25H24N2/c1-18-12-14-20(15-13-18)23-25(2,21-9-4-3-5-10-21)24-26-22-11-7-6-8-19(22)16-17-27(23)24/h3-15,23H,16-17H2,1-2H3/t23-,25-/m0/s1
InChIKey NELYVDSJZXMCMU-ZCYQVOJMSA-N
Molecular Weight 352.481 g/mol
SMILES C1=2[C@](c3ccccc3)(C)[C@@](N1CCc1c(N2)cccc1)(c1ccc(cc1)C)[H]
SPLASH splash10-001i-0902000000-a83ffe9bee8e9bb3e789
Source of Spectrum QE-5-1116-10
Wiley ID 844082