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(1.alpha.,4.alpha.,5.beta.,6.alpha.)-1-Bromo-7-oxabicyclo[4.1.0]hept-2-ene-4,5-diol

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(1.alpha.,4.alpha.,5.beta.,6.alpha.)-1-Bromo-7-oxabicyclo[4.1.0]hept-2-ene-4,5-diol
SpectraBase Compound ID 9wUso4Fl2Aj
InChI InChI=1S/C6H7BrO3/c7-6-2-1-3(8)4(9)5(6)10-6/h1-5,8-9H/t3-,4+,5+,6-/m0/s1
InChIKey UTAMWKOVMFXLIX-KCDKBNATSA-N
Mol Weight 207.02 g/mol
Molecular Formula C6H7BrO3
Exact Mass 205.957857 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8qJ02fXMEcQ
Name (1.alpha.,4.alpha.,5.beta.,6.alpha.)-1-Bromo-7-oxabicyclo[4.1.0]hept-2-ene-4,5-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 205.957857082 u
Formula C6H7BrO3
InChI InChI=1S/C6H7BrO3/c7-6-2-1-3(8)4(9)5(6)10-6/h1-5,8-9H/t3-,4+,5+,6-/m0/s1
InChIKey UTAMWKOVMFXLIX-KCDKBNATSA-N
Molecular Weight 207.023 g/mol
SMILES [C@@]12([C@]([C@](O)([C@](C=C2)(O)[H])[H])([H])O1)Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963549