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Methyl [3]Staffane-3-carboxylate

View entire compound with spectra: 1 MS (GC)

Methyl [3]Staffane-3-carboxylate
SpectraBase Compound ID 9RTfxUmOo4v
InChI InChI=1S/C17H22O2/c1-19-12(18)13-5-15(6-13,7-13)17-8-16(9-17,10-17)14-2-11(3-14)4-14/h11H,2-10H2,1H3
InChIKey IYFJLGKXOVTBGQ-UHFFFAOYSA-N
Mol Weight 258.36 g/mol
Molecular Formula C17H22O2
Exact Mass 258.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kj3XYmhKdDl
Name Methyl [3]Staffane-3-carboxylate
Alternate Name(s) Methyl 3-(3-{bicyclo[1.1.1]pentan-1-yl}bicyclo[1.1.1]pentan-1-yl)bicyclo[1.1.1]pentane-1-carboxylate
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Formula C17H22O2
InChI InChI=1S/C17H22O2/c1-19-12(18)13-5-15(6-13,7-13)17-8-16(9-17,10-17)14-2-11(3-14)4-14/h11H,2-10H2,1H3
InChIKey IYFJLGKXOVTBGQ-UHFFFAOYSA-N
Molecular Weight 258.361 g/mol
SMILES C12(C34CC(C(=O)OC)(C4)C3)CC(C1)(C13CC(C3)C1)C2
SPLASH splash10-00mo-6900000000-57608098e6487ecadf50
Source of Spectrum C-114-613-3
Wiley ID 1262197