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3-(5-Bromo-3-nitro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one

View entire compound with spectra: 2 MS (GC)

3-(5-Bromo-3-nitro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
SpectraBase Compound ID CLthIBkgLP
InChI InChI=1S/C8H7BrN4O5/c9-7-10-8(13(15)16)11-12(7)3-1-5-17-2-4(18-5)6(3)14/h3-5H,1-2H2/t3?,4-,5-/m1/s1
InChIKey DXONMZQIQKOTAX-YZNZAMEGSA-N
Mol Weight 319.07 g/mol
Molecular Formula C8H7BrN4O5
Exact Mass 317.959982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DthSuBpjrvN
Name 3-(5-Bromo-3-nitro-1H-1,2,4-triazol-1-yl)-6,8-dioxabicyclo[3.2.1]octan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7BrN4O5
InChI InChI=1S/C8H7BrN4O5/c9-7-10-8(13(15)16)11-12(7)3-1-5-17-2-4(18-5)6(3)14/h3-5H,1-2H2/t3?,4-,5-/m1/s1
InChIKey DXONMZQIQKOTAX-YZNZAMEGSA-N
Molecular Weight 319.071 g/mol
SMILES C1C(C([C@]2(CO[C@@]1(O2)[H])[H])=O)[n]1nc(nc1Br)N(=O)=O
SPLASH splash10-0006-9000000000-079a5b5ba98f93b06a6b
Synonyms 3-(5-bromanyl-3-nitro-1,2,4-triazol-1-yl)-7,8-dioxabicyclo[3.2.1]octan-4-one 3-(5-bromo-3-nitro-1,2,4-triazol-1-yl)-7,8-dioxabicyclo[3.2.1]octan-4-one
Wiley ID 1469579