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(4S,5S)-4,5-Dimethyl-cyclohexane-1,2-dione
SpectraBase Compound ID JgAGyATXwQ1
InChI InChI=1S/C8H12O2/c1-5-3-7(9)8(10)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey NYGUAIUIFILRLS-WDSKDSINSA-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 2NP9wVxiBH5
Name (4S,5S)-4,5-Dimethyl-cyclohexane-1,2-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-5-3-7(9)8(10)4-6(5)2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKey NYGUAIUIFILRLS-WDSKDSINSA-N
Molecular Weight 140.182 g/mol
SMILES C1(C(C[C@@]([C@](C1)(C)[H])(C)[H])=O)=O
SPLASH splash10-0fkc-9200000000-b9fc4ded54f8836e9c7e
Source of Spectrum QC-9-2478-1
Synonyms (4S,5S)-2-Hydroxy-4,5-dimethyl cyclohex-2-enone (4S,5S)-4,5-dimethyl-1,2-cyclohexanedione
Wiley ID 870679