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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
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 82hqobCrnmj
Name 3-(5-BROMO-3-NITRO-1H-1,2,4-TRIAZOL-1-YL)-6,8-DIOXABICYCLO[3.2.1]OCTAN-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 317.9598
SMILES C1[C@]2(O[C@](CO2)(C(=O)C1[n]1c(Br)nc(N(=O)=O)n1)[H])[H]
SPLASH splash10-0006-9000000000-079a5b5ba98f93b06a6b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany