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3-(p-Nitrophenyl)-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene

View entire compound with spectra: 1 MS (GC)

3-(p-Nitrophenyl)-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
SpectraBase Compound ID ESdTrUvtTKt
InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)18-16-12-6-10-5-11(7-12)9-13(8-10)17(16)24(23-18)14-1-3-15(4-2-14)25(26)27/h1-4,10-13H,5-9H2/t10-,11+,12-,13+
InChIKey VFCOGGJOMVUDPR-MPZDIEGVSA-N
Mol Weight 377.37 g/mol
Molecular Formula C19H18F3N3O2
Exact Mass 377.135111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDm8o0b4DQB
Name 3-(p-Nitrophenyl)-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
Alternate Name(s) 3-(4-nitrophenyl)-5-(trifluoromethyl)-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F3N3O2
InChI InChI=1S/C19H18F3N3O2/c20-19(21,22)18-16-12-6-10-5-11(7-12)9-13(8-10)17(16)24(23-18)14-1-3-15(4-2-14)25(26)27/h1-4,10-13H,5-9H2/t10-,11+,12-,13+
InChIKey VFCOGGJOMVUDPR-MPZDIEGVSA-N
Molecular Weight 377.367 g/mol
SMILES [C@]12(c3[n](nc(c3[C@@]3(C[C@@](C[C@](C1)(C3)[H])(C2)[H])[H])C(F)(F)F)-c1ccc(cc1)N(=O)=O)[H]
SPLASH splash10-004i-0009000000-7aa214e6d46e0eb9517a
Source of Spectrum SO-0-1460-8
Wiley ID 1545410