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2-{5-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 1 MS (GC)

2-{5-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID 1AGvEn71mUf
InChI InChI=1S/C14H11F3N4O3/c15-14(16,17)8-3-1-7(2-4-8)12-18-19-20-21(12)9-5-10(22)13-23-6-11(9)24-13/h1-4,9,11,13H,5-6H2/t9?,11-,13-/m1/s1
InChIKey FZPDWWMKSYENLV-HRBVQNPCSA-N
Mol Weight 340.26 g/mol
Molecular Formula C14H11F3N4O3
Exact Mass 340.078325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8w13b1MR6OR
Name 2-{5-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-1-yl}-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H11F3N4O3
InChI InChI=1S/C14H11F3N4O3/c15-14(16,17)8-3-1-7(2-4-8)12-18-19-20-21(12)9-5-10(22)13-23-6-11(9)24-13/h1-4,9,11,13H,5-6H2/t9?,11-,13-/m1/s1
InChIKey FZPDWWMKSYENLV-HRBVQNPCSA-N
Molecular Weight 340.262 g/mol
SMILES C(c1ccc(-c2[n](nnn2)C2[C@]3(CO[C@@](C(=O)C2)(O3)[H])[H])cc1)(F)(F)F
SPLASH splash10-0006-9410000000-dff3131ec7653720d9c5
Source of Spectrum IY-2-4955-7
Synonyms 6,8-Dioxabicyclo[3.2.1]octan-4-one, 2-[5-[4-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-1-yl]- 2-[5-[4-(trifluoromethyl)phenyl]-1-tetrazolyl]-6,8-dioxabicyclo[3.2.1]octan-4-one 2-[5-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1657540