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4-(4-Fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
SpectraBase Compound ID AvzFpEi6kme
InChI InChI=1S/C21H18FN3/c22-17-11-9-15(10-12-17)19-14-25-21-18(19)8-4-5-13-24(21)20(23-25)16-6-2-1-3-7-16/h1-3,6-7,9-12,14H,4-5,8,13H2
InChIKey WRKGODAXVHPNDB-UHFFFAOYSA-N
Mol Weight 331.39 g/mol
Molecular Formula C21H18FN3
Exact Mass 331.148476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbRIuB8rJBw
Name 4-(4-Fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
Alternate Name(s) Cyclopenta[cd]azulene, 4-(4-fluorophenyl)-1-phenyl-5,6,7,8-tetrahydro-2,2a,8a-triaza-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18FN3
InChI InChI=1S/C21H18FN3/c22-17-11-9-15(10-12-17)19-14-25-21-18(19)8-4-5-13-24(21)20(23-25)16-6-2-1-3-7-16/h1-3,6-7,9-12,14H,4-5,8,13H2
InChIKey WRKGODAXVHPNDB-UHFFFAOYSA-N
Molecular Weight 331.394 g/mol
SMILES c12N3C(c4ccccc4)=N[n]1cc(c2CCCC3)-c1ccc(cc1)F
SPLASH splash10-001i-2928000000-9e3a18508ebdf4ddd8ec
Wiley ID 1441307