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ZDCYWXYPRPCJOY-RQJHMYQMSA-N
SpectraBase Compound ID Kc1jTpy2jN7
InChI InChI=1S/C8H14O/c1-6-3-4-8(9)5-7(6)2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1
InChIKey ZDCYWXYPRPCJOY-RQJHMYQMSA-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 2ZHdIiXg6Jr
Name (3S,4R)-3,4-dimethyl-1-cyclohexanone
Alternate Name(s) (3S,4R)-3,4-dimethylcyclohexan-1-one (3S,4R)-3,4-dimethylcyclohexanone cis-3,4-Dimethylcyclohexanone
CAS Registry Number 27922-05-0
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+/m1/s1
InChIKey ZDCYWXYPRPCJOY-RQJHMYQMSA-N
Molecular Weight 126.199 g/mol
SMILES [C@]1(CC(=O)CC[C@]1(C)[H])(C)[H]
SPLASH splash10-014i-9200000000-93040cbaef74e196f2d5
Source of Spectrum K-118-2441-0
Wiley ID 1130275