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(2-methylbicyclo[1.1.1]pentan-2-yl)methanol
SpectraBase Compound ID Cj0pMiJCWUM
InChI InChI=1S/C7H12O/c1-7(4-8)5-2-6(7)3-5/h5-6,8H,2-4H2,1H3/t5-,6+,7-
InChIKey XXCITNVMLOMKKM-KVSKUHBBSA-N
Mol Weight 112.17 g/mol
Molecular Formula C7H12O
Exact Mass 112.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BovmzIREydi
Name (2-methylbicyclo[1.1.1]pentan-2-yl)methanol
Alternate Name(s) ((1R,3S)-2-methylbicyclo[1.1.1]pentan-2-yl)methanol
Comments Less than 3 mono-isotopic peaks
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Formula C7H12O
InChI InChI=1S/C7H12O/c1-7(4-8)5-2-6(7)3-5/h5-6,8H,2-4H2,1H3/t5-,6+,7-
InChIKey XXCITNVMLOMKKM-KVSKUHBBSA-N
Molecular Weight 112.172 g/mol
SMILES OCC1([C@]2(C[C@@]1(C2)[H])[H])C
SPLASH splash10-004i-9000000000-8e5853f3dba88544a0fe
Source of Spectrum CJC-30-93-3
Wiley ID 1772618