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ZDCYWXYPRPCJOY-BQBZGAKWSA-N
SpectraBase Compound ID BU89yiMjgNI
InChI InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey ZDCYWXYPRPCJOY-BQBZGAKWSA-N
Mol Weight 126.2 g/mol
Molecular Formula C8H14O
Exact Mass 126.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9sndfNjkNC6
Name (3S,4S)-3,4-dimethyl-1-cyclohexanone
Alternate Name(s) (3S,4S)-3,4-dimethylcyclohexan-1-one (3S,4S)-3,4-dimethylcyclohexanone trans-3,4-Dimethylcyclohexanone
CAS Registry Number 28023-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O
InChI InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKey ZDCYWXYPRPCJOY-BQBZGAKWSA-N
Molecular Weight 126.199 g/mol
SMILES [C@]1(CC(=O)CC[C@@]1(C)[H])(C)[H]
SPLASH splash10-014i-9200000000-637847d1557e570948bb
Source of Spectrum K-118-2441-5
Wiley ID 1130277