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1-[(1R,2S)-2-hydroxycyclohexyl]ethanone

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

1-[(1R,2S)-2-hydroxycyclohexyl]ethanone
SpectraBase Compound ID CGDpPZcRyn7
InChI InChI=1S/C8H14O2/c1-6(9)7-4-2-3-5-8(7)10/h7-8,10H,2-5H2,1H3/t7-,8-/m0/s1
InChIKey GPYOABAXMVHVBU-YUMQZZPRSA-N
Mol Weight 142.2 g/mol
Molecular Formula C8H14O2
Exact Mass 142.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8vyt9KrSRQe
Name 1-[(1R,2S)-2-Hydroxycyclohexyl]ethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 142.099379689 u
Formula C8H14O2
InChI InChI=1S/C8H14O2/c1-6(9)7-4-2-3-5-8(7)10/h7-8,10H,2-5H2,1H3/t7-,8-/m0/s1
InChIKey GPYOABAXMVHVBU-YUMQZZPRSA-N
Molecular Weight 142.198 g/mol
SMILES [C@@]1(C(=O)C)([C@@](O)(CCCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952814