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1H,4H-3a,8a-Propanocycloheptapyrazol-4-one, 5,6,7,8-tetrahydro-3-(4-methylphenyl)-1-phenyl-
SpectraBase Compound ID 5H73iD7tZDG
InChI InChI=1S/C24H26N2O/c1-18-11-13-19(14-12-18)22-24-17-7-16-23(24,15-6-5-10-21(24)27)26(25-22)20-8-3-2-4-9-20/h2-4,8-9,11-14H,5-7,10,15-17H2,1H3/t23-,24+/m0/s1
InChIKey GOODDHNUGMACMK-BJKOFHAPSA-N
Mol Weight 358.49 g/mol
Molecular Formula C24H26N2O
Exact Mass 358.204513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9BhYlGoXFKn
Name 1H,4H-3a,8a-Propanocycloheptapyrazol-4-one, 5,6,7,8-tetrahydro-3-(4-methylphenyl)-1-phenyl-
Alternate Name(s) 10-(4-methylphenyl)-8-phenyl-8,9-diazatricyclo[5.3.3.0(1,7)]tridec-9-en-2-one 8-Phenyl-10-(4-methylphenyl)-8,9-diaza[5.3.3]propell-9-en-2-one
CAS Registry Number 110672-23-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N2O
InChI InChI=1S/C24H26N2O/c1-18-11-13-19(14-12-18)22-24-17-7-16-23(24,15-6-5-10-21(24)27)26(25-22)20-8-3-2-4-9-20/h2-4,8-9,11-14H,5-7,10,15-17H2,1H3/t23-,24+/m0/s1
InChIKey GOODDHNUGMACMK-BJKOFHAPSA-N
Molecular Weight 358.485 g/mol
SMILES [C@]123[C@@](N(c4ccccc4)N=C1c1ccc(cc1)C)(CCC3)CCCCC2=O
SPLASH splash10-0a7i-3029000000-8abaff90094cb79795ba
Source of Spectrum Y-23-1683-0
Wiley ID 1347451