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(+-)-trans-1-Acetoxy-2-bromocyclohexane

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

(+-)-trans-1-Acetoxy-2-bromocyclohexane
SpectraBase Compound ID Cl4okpkI0pR
InChI InChI=1S/C8H13BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKey ZFEQKYDGSSHAGD-HTQZYQBOSA-N
Mol Weight 221.09 g/mol
Molecular Formula C8H13BrO2
Exact Mass 220.009893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LpPcmGRSkME
Name (+-)-trans-1-acetoxy-2-bromocyclohexane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 220.009892657 u
Formula C8H13BrO2
InChI InChI=1S/C8H13BrO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3/t7-,8-/m1/s1
InChIKey ZFEQKYDGSSHAGD-HTQZYQBOSA-N
Molecular Weight 221.094 g/mol
SMILES C(O[C@]1([C@](Br)(CCCC1)[H])[H])(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.892541