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4-(3,4-Dichlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID 5lFx9qwihfe
InChI InChI=1S/C22H19Cl2N3/c1-14-5-7-15(8-6-14)21-25-27-13-18(16-9-10-19(23)20(24)12-16)17-4-2-3-11-26(21)22(17)27/h5-10,12-13H,2-4,11H2,1H3
InChIKey JSVMLJZEBYAGPY-UHFFFAOYSA-N
Mol Weight 396.32 g/mol
Molecular Formula C22H19Cl2N3
Exact Mass 395.095603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HZEvPxcucsq
Name 4-(3,4-Dichlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H19Cl2N3
InChI InChI=1S/C22H19Cl2N3/c1-14-5-7-15(8-6-14)21-25-27-13-18(16-9-10-19(23)20(24)12-16)17-4-2-3-11-26(21)22(17)27/h5-10,12-13H,2-4,11H2,1H3
InChIKey JSVMLJZEBYAGPY-UHFFFAOYSA-N
Molecular Weight 396.321 g/mol
SMILES c12N3C(c4ccc(cc4)C)=N[n]1cc(c2CCCC3)-c1cc(Cl)c(cc1)Cl
SPLASH splash10-0002-2749000000-20a4c81a28e154f812e2
Wiley ID 1443224