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Cis-(1R,6S)-3-Methyl-bicyclo[4.1.0]heptan-2-one
SpectraBase Compound ID 50nEbdbG71I
InChI InChI=1S/C8H12O/c1-5-2-3-6-4-7(6)8(5)9/h5-7H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKey ABNKDHYMZNCQRR-BOJSHJERSA-N
Mol Weight 124.18 g/mol
Molecular Formula C8H12O
Exact Mass 124.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV9LBwMZsRm
Name Cis-(1R,6S)-3-Methyl-bicyclo[4.1.0]heptan-2-one
Alternate Name(s) (1R,6S)-3-methylbicyclo[4.1.0]heptan-2-one cis-2-Methyl bicyclo[4.1.0]heptan-2-one trans-2-Methyl bicyclo[4.1.0]heptan-2-one
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Formula C8H12O
InChI InChI=1S/C8H12O/c1-5-2-3-6-4-7(6)8(5)9/h5-7H,2-4H2,1H3/t5?,6-,7+/m0/s1
InChIKey ABNKDHYMZNCQRR-BOJSHJERSA-N
Molecular Weight 124.183 g/mol
SMILES [C@@]12(C[C@@]2(CCC(C1=O)C)[H])[H]
SPLASH splash10-0uei-9100000000-874be926b7e44d0f6cb9
Source of Spectrum KC-61-4802-25
Wiley ID 1629142