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Cubylmethanol acetate
SpectraBase Compound ID 2ClYBXaOwFF
InChI InChI=1S/C11H12O2/c1-3(12)13-2-11-8-5-4-6(8)10(11)7(4)9(5)11/h4-10H,2H2,1H3/t4-,5+,6-,7+,8+,9-,10+,11-
InChIKey MRNJSJUQWYOMRC-DNXKPUGKSA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXDLgmnbGOg
Name Cubylmethanol acetate
Alternate Name(s) Pentacyclo[4.2.0.0(2,5).0(3,8).0(4,7)]oct-1-ylmethyl acetate
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Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-3(12)13-2-11-8-5-4-6(8)10(11)7(4)9(5)11/h4-10H,2H2,1H3/t4-,5+,6-,7+,8+,9-,10+,11-
InChIKey MRNJSJUQWYOMRC-DNXKPUGKSA-N
Molecular Weight 176.215 g/mol
SMILES C12([C@]3([C@]4([C@@]2([C@]2([C@@]1([C@@]3(C42)[H])[H])[H])[H])[H])[H])COC(=O)C
SPLASH splash10-014i-3900000000-96ec131247a41286eb54
Source of Spectrum C-118-6555-3
Wiley ID 759695