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4-(4-Chlorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID SyZyJ1IS5O
InChI InChI=1S/C22H20ClN3/c1-15-5-7-17(8-6-15)21-24-26-14-20(16-9-11-18(23)12-10-16)19-4-2-3-13-25(21)22(19)26/h5-12,14H,2-4,13H2,1H3
InChIKey BRXKTCUVRGMMMU-UHFFFAOYSA-N
Mol Weight 361.88 g/mol
Molecular Formula C22H20ClN3
Exact Mass 361.134575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVgLglqsEDn
Name 4-(4-Chlorophenyl)-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 C22H20ClN3
InChI InChI=1S/C22H20ClN3/c1-15-5-7-17(8-6-15)21-24-26-14-20(16-9-11-18(23)12-10-16)19-4-2-3-13-25(21)22(19)26/h5-12,14H,2-4,13H2,1H3
InChIKey BRXKTCUVRGMMMU-UHFFFAOYSA-N
Molecular Weight 361.876 g/mol
SMILES c12N3C(c4ccc(cc4)C)=N[n]1cc(c2CCCC3)-c1ccc(cc1)Cl
SPLASH splash10-03di-2938000000-6bac7e2c6f868d07e1dc
Wiley ID 1511930