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4-(4-Bromo-phenyl)-1-phenoxymethyl-5,6,7,8-tetrahydro-2,2a,8a-triaza-cyclopenta[cd]azulene
SpectraBase Compound ID 4IC4YsObiYO
InChI InChI=1S/C22H20BrN3O/c23-17-11-9-16(10-12-17)20-14-26-22-19(20)8-4-5-13-25(22)21(24-26)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,14H,4-5,8,13,15H2
InChIKey OPVUTLKUAZYANQ-UHFFFAOYSA-N
Mol Weight 422.33 g/mol
Molecular Formula C22H20BrN3O
Exact Mass 421.078975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARyhWzPW4jM
Name 4-(4-Bromo-phenyl)-1-phenoxymethyl-5,6,7,8-tetrahydro-2,2a,8a-triaza-cyclopenta[cd]azulene
Alternate Name(s) [4-(4-bromophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulen-1-yl]methyl phenyl ether
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20BrN3O
InChI InChI=1S/C22H20BrN3O/c23-17-11-9-16(10-12-17)20-14-26-22-19(20)8-4-5-13-25(22)21(24-26)15-27-18-6-2-1-3-7-18/h1-3,6-7,9-12,14H,4-5,8,13,15H2
InChIKey OPVUTLKUAZYANQ-UHFFFAOYSA-N
Molecular Weight 422.326 g/mol
SMILES c12[n]3N=C(N2CCCCc1c(-c1ccc(cc1)Br)c3)COc1ccccc1
SPLASH splash10-00u6-9545300000-9a62bace25fdc1bb1d59
Wiley ID 1443223