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(1r,5s,6R,9S,10s,11r,12S,15R)-3-[4-(Trifluomethyl)benzoylamino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione)
SpectraBase Compound ID LnEEoV31tu1
InChI InChI=1S/C22H15F3N2O3/c23-22(24,25)10-3-1-9(2-4-10)17(28)26-27-18(29)20-11-5-6-12-15(11)16-13(20)7-8-14(16)21(12,20)19(27)30/h1-8,11-16H,(H,26,28)/t11-,12+,13+,14-,15-,16+,20-,21-
InChIKey CFJGSAOXUOWJGT-OZADFPMLSA-N
Mol Weight 412.37 g/mol
Molecular Formula C22H15F3N2O3
Exact Mass 412.103477 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID UOMGByEyjV
Name (1r,5s,6R,9S,10s,11r,12S,15R)-3-[4-(Trifluomethyl)benzoylamino]-3-azahexacyclo[7.6.0.0(1,5).0(5,12).0(6,10).0(11,15)]pentadeca-7,13-diene-2,4-dione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H15F3N2O3
InChI InChI=1S/C22H15F3N2O3/c23-22(24,25)10-3-1-9(2-4-10)17(28)26-27-18(29)20-11-5-6-12-15(11)16-13(20)7-8-14(16)21(12,20)19(27)30/h1-8,11-16H,(H,26,28)/t11-,12+,13+,14-,15-,16+,20-,21-
InChIKey CFJGSAOXUOWJGT-OZADFPMLSA-N
Literature Reference DOI 10.1002/cmdc.201000306
Molecular Weight 412.368 g/mol
SMILES N(N1C([C@]23[C@@]4(C=C[C@]5([C@@]4([C@]4([C@@]3(C=C[C@]4([C@]25C1=O)[H])[H])[H])[H])[H])[H])=O)C(=O)c1ccc(cc1)C(F)(F)F
SPLASH splash10-006t-0906000000-1a30dd9747a2b503782b
Source of Spectrum CMC-5-2076-7a
Wiley ID 1771648