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HDSBTYDGKXIWQU-UHFFFAOYSA-N
SpectraBase Compound ID IKgdiY0UpnV
InChI InChI=1S/C27H21N3O3/c31-25-20-14-7-8-15-21(20)30-24(22-16-9-17-28(22)25)29(19-12-5-2-6-13-19)26(32)23(27(30)33)18-10-3-1-4-11-18/h1-8,10-15,23H,9,16-17H2
InChIKey HDSBTYDGKXIWQU-UHFFFAOYSA-N
Mol Weight 435.48 g/mol
Molecular Formula C27H21N3O3
Exact Mass 435.158292 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXdVwFbmqMb
Name 4,5,6,7-Tetrahydro-2,4-diphenyl-4,7a,12b-triazadibenzo[e,g]azulene-1,3,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H21N3O3
InChI InChI=1S/C27H21N3O3/c31-25-20-14-7-8-15-21(20)30-24(22-16-9-17-28(22)25)29(19-12-5-2-6-13-19)26(32)23(27(30)33)18-10-3-1-4-11-18/h1-8,10-15,23H,9,16-17H2
InChIKey HDSBTYDGKXIWQU-UHFFFAOYSA-N
Molecular Weight 435.483 g/mol
SMILES C1CCC2=C3N(c4c(C(N12)=O)cccc4)C(C(C(N3c1ccccc1)=O)c1ccccc1)=O
SPLASH splash10-000i-0000900000-d7892778c1e28320ed7f
Source of Spectrum H-2005-1788-14
Synonyms 1,3-Diphenyl-1,12,13,14-tetrahydro-2H,10H-pyrimido[1,2-a]pyrrolo[2,1-c][1,4]benzodiazepine-2,4,10(3H)-trione
Wiley ID 1562651