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11-(3-Ethoxy-4-hydroxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 1CqNXi7z9Rf
InChI InChI=1S/C27H26N2O3/c1-2-32-25-16-18(12-13-23(25)30)27-26-22(28-20-10-6-7-11-21(20)29-27)14-19(15-24(26)31)17-8-4-3-5-9-17/h3-13,16,19,27-30H,2,14-15H2,1H3
InChIKey PNBMOJTYKBKKSI-UHFFFAOYSA-N
Mol Weight 426.52 g/mol
Molecular Formula C27H26N2O3
Exact Mass 426.194343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZTUvBXjdx9
Name 11-(3-Ethoxy-4-hydroxyphenyl)-3-phenyl-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 C27H26N2O3
InChI InChI=1S/C27H26N2O3/c1-2-32-25-16-18(12-13-23(25)30)27-26-22(28-20-10-6-7-11-21(20)29-27)14-19(15-24(26)31)17-8-4-3-5-9-17/h3-13,16,19,27-30H,2,14-15H2,1H3
InChIKey PNBMOJTYKBKKSI-UHFFFAOYSA-N
Molecular Weight 426.516 g/mol
SMILES N1c2ccccc2NC(c2ccc(c(c2)OCC)O)C2=C1CC(CC2=O)c1ccccc1
SPLASH splash10-000l-6960000000-c492223c7d11aaee3ec1
Synonyms 6-(3-Ethoxy-4-hydroxy-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-Ethoxy-4-oxidanyl-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1448194