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3-(2-Chlorophenyl)-11-(4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 1kKxbnq8uNQ
InChI InChI=1S/C25H21ClN2O2/c26-19-6-2-1-5-18(19)16-13-22-24(23(30)14-16)25(15-9-11-17(29)12-10-15)28-21-8-4-3-7-20(21)27-22/h1-12,16,25,27-29H,13-14H2
InChIKey WRRWDRFYUZNHQM-UHFFFAOYSA-N
Mol Weight 416.91 g/mol
Molecular Formula C25H21ClN2O2
Exact Mass 416.129156 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bFM258IEEj
Name 3-(2-Chlorophenyl)-11-(4-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21ClN2O2
InChI InChI=1S/C25H21ClN2O2/c26-19-6-2-1-5-18(19)16-13-22-24(23(30)14-16)25(15-9-11-17(29)12-10-15)28-21-8-4-3-7-20(21)27-22/h1-12,16,25,27-29H,13-14H2
InChIKey WRRWDRFYUZNHQM-UHFFFAOYSA-N
Molecular Weight 416.908 g/mol
SMILES N1c2ccccc2NC(c2ccc(cc2)O)C2=C1CC(CC2=O)c1c(Cl)cccc1
SPLASH splash10-00fu-8974100000-bf69936ac70c4a150af6
Synonyms 9-(2-Chlorophenyl)-6-(4-hydroxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1461719