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1H-1,2,4-Triazole, 1,1'-[[2,3-bis(4-fluorophenyl)-2,3-oxiranediyl]bis(methylene)]bis-, trans-
SpectraBase Compound ID KdB3G4EgG9Q
InChI InChI=1S/C20H16F2N6O/c21-17-5-1-15(2-6-17)19(9-27-13-23-11-25-27)20(29-19,10-28-14-24-12-26-28)16-3-7-18(22)8-4-16/h1-8,11-14H,9-10H2/t19-,20-/m1/s1
InChIKey CLXVTVXJLXGXKS-WOJBJXKFSA-N
Mol Weight 394.39 g/mol
Molecular Formula C20H16F2N6O
Exact Mass 394.135365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EO63stBrZ3n
Name 1H-1,2,4-Triazole, 1,1'-[[2,3-bis(4-fluorophenyl)-2,3-oxiranediyl]bis(methylene)]bis-, trans-
Alternate Name(s) 1-{[(2S,3S)-2,3-bis(4-fluorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)oxiranyl]methyl}-1H-1,2,4-triazole trans-2,3-epoxy-2,3-bis(fluorophenyl)-1,4-di(1,2,4-triazol-1-yl))butane
CAS Registry Number 119350-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16F2N6O
InChI InChI=1S/C20H16F2N6O/c21-17-5-1-15(2-6-17)19(9-27-13-23-11-25-27)20(29-19,10-28-14-24-12-26-28)16-3-7-18(22)8-4-16/h1-8,11-14H,9-10H2/t19-,20-/m1/s1
InChIKey CLXVTVXJLXGXKS-WOJBJXKFSA-N
Molecular Weight 394.386 g/mol
SMILES [C@]1([C@@](C[n]2ncnc2)(c2ccc(cc2)F)O1)(C[n]1ncnc1)c1ccc(cc1)F
SPLASH splash10-00dj-6901000000-c2f29b6f3cb5af892dd8
Source of Spectrum Y-25-1441-9
Wiley ID 1366553