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(1S,4R,5S)-5-hydroxy-3-bicyclo[2.2.2]octanone

View entire compound with spectra: 1 MS (GC)

(1S,4R,5S)-5-hydroxy-3-bicyclo[2.2.2]octanone
SpectraBase Compound ID AQaJMsqbsTs
InChI InChI=1S/C8H12O2/c9-7-3-5-1-2-6(7)8(10)4-5/h5-7,9H,1-4H2/t5-,6+,7-/m0/s1
InChIKey NIRXVBNTTMVMMA-XVMARJQXSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQhcXIjUbUX
Name (1S,4R,5S)-5-hydroxy-3-bicyclo[2.2.2]octanone
Alternate Name(s) (1S,4R,5S)-5-hydroxybicyclo[2.2.2]octan-3-one (1S,4R,5S)-5-oxidanylbicyclo[2.2.2]octan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c9-7-3-5-1-2-6(7)8(10)4-5/h5-7,9H,1-4H2/t5-,6+,7-/m0/s1
InChIKey NIRXVBNTTMVMMA-XVMARJQXSA-N
Molecular Weight 140.182 g/mol
SMILES O[C@@]1([C@@]2(C(C[C@](C1)(CC2)[H])=O)[H])[H]
SPLASH splash10-001i-9000000000-74be5c76a60b6bdb1c9e
Source of Spectrum QC-17-997-11
Wiley ID 1638233