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

View entire compound with spectra: 1 MS (GC)

trans-1-(4-Chlorophenyl)-2-ethyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
SpectraBase Compound ID By2iJ2f5PLU
InChI InChI=1S/C25H23ClN2/c1-2-25(20-9-4-3-5-10-20)23(19-12-14-21(26)15-13-19)28-17-16-18-8-6-7-11-22(18)27-24(25)28/h3-15,23H,2,16-17H2,1H3/t23-,25-/m1/s1
InChIKey GFCIQLACDAMJGL-ILBGXUMGSA-N
Mol Weight 386.93 g/mol
Molecular Formula C25H23ClN2
Exact Mass 386.154976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4vCvEB5AOOS
Name trans-1-(4-Chlorophenyl)-2-ethyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
Alternate Name(s) (1R,2R)-1-(4-Chloro-phenyl)-2-ethyl-2-phenyl-1,2,8,9-tetrahydro-3,9a-diaza-benzo[a]cyclobuta[d]cycloheptene (1R,2R)-1-(4-chlorophenyl)-2-ethyl-2-phenyl-1,2,8,9-tetrahydroazeto[2,1-b][1,3]benzodiazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23ClN2
InChI InChI=1S/C25H23ClN2/c1-2-25(20-9-4-3-5-10-20)23(19-12-14-21(26)15-13-19)28-17-16-18-8-6-7-11-22(18)27-24(25)28/h3-15,23H,2,16-17H2,1H3/t23-,25-/m1/s1
InChIKey GFCIQLACDAMJGL-ILBGXUMGSA-N
Molecular Weight 386.926 g/mol
SMILES C1=2[C@@](c3ccccc3)(CC)[C@](N1CCc1c(N2)cccc1)(c1ccc(cc1)Cl)[H]
SPLASH splash10-001i-0904000000-3d680136aee1c38348c2
Source of Spectrum QE-5-1116-10
Wiley ID 844079