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3,6,6-trimethlbicyclo[3.1.0]hexan-2-one
SpectraBase Compound ID 5r4mHABJikU
InChI InChI=1S/C9H14O/c1-5-4-6-7(8(5)10)9(6,2)3/h5-7H,4H2,1-3H3
InChIKey WJUCTIQYIHYWRQ-UHFFFAOYSA-N
Mol Weight 138.21 g/mol
Molecular Formula C9H14O
Exact Mass 138.104465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBMtKA4Copb
Name 3,6,6-trimethlbicyclo[3.1.0]hexan-2-one
CAS Registry Number 13899-75-7
Comments Less than 3 mono-isotopic peaks
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Formula C9H14O
InChI InChI=1S/C9H14O/c1-5-4-6-7(8(5)10)9(6,2)3/h5-7H,4H2,1-3H3
InChIKey WJUCTIQYIHYWRQ-UHFFFAOYSA-N
Molecular Weight 138.210 g/mol
SMILES C1(C2C(=O)C(CC12)C)(C)C
SPLASH splash10-014i-9200000000-433b847e0c96a7baecde
Source of Spectrum H-73-892-5
Synonyms 3,6,6-trimethylbicyclo[3.1.0]hexan-2-one
Wiley ID 1138180