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3-Benzoyl-5-trifluoromethyl-3,4-diazatetracyclo[7.3.1.1(7,11).0(2,6)]tetradeca-2(6),4-diene
SpectraBase Compound ID 3qm2pBSn2kU
InChI InChI=1S/C20H19F3N2O/c21-20(22,23)18-16-14-7-11-6-12(8-14)10-15(9-11)17(16)25(24-18)19(26)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2/t11-,12+,14-,15+
InChIKey YFPBYFIFWCRDJM-CUFDPUGPSA-N
Mol Weight 360.38 g/mol
Molecular Formula C20H19F3N2O
Exact Mass 360.144948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KvG3Xr16Zv0
Name 3-Benzoyl-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 C20H19F3N2O
InChI InChI=1S/C20H19F3N2O/c21-20(22,23)18-16-14-7-11-6-12(8-14)10-15(9-11)17(16)25(24-18)19(26)13-4-2-1-3-5-13/h1-5,11-12,14-15H,6-10H2/t11-,12+,14-,15+
InChIKey YFPBYFIFWCRDJM-CUFDPUGPSA-N
Molecular Weight 360.380 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)C(c1ccccc1)=O)[H]
SPLASH splash10-06si-0009000000-97ab35edc8b61e3648e0
Source of Spectrum SO-0-1461-11
Wiley ID 1545403