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3'-(Methoxycarbonyl)[2]staffane-3-carboxylic acid
SpectraBase Compound ID 8p7vLsVoqnA
InChI InChI=1S/C13H16O4/c1-17-9(16)11-5-13(6-11,7-11)12-2-10(3-12,4-12)8(14)15/h2-7H2,1H3,(H,14,15)
InChIKey YQCGMUBYBKDIHK-UHFFFAOYSA-N
Mol Weight 236.27 g/mol
Molecular Formula C13H16O4
Exact Mass 236.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ky0l3YF6Yv5
Name 3'-(Methoxycarbonyl)[2]staffane-3-carboxylic acid
Alternate Name(s) 3-[3-(methoxycarbonyl)bicyclo[1.1.1]pentan-1-yl]bicyclo[1.1.1]pentane-1-carboxylic acid
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Formula C13H16O4
InChI InChI=1S/C13H16O4/c1-17-9(16)11-5-13(6-11,7-11)12-2-10(3-12,4-12)8(14)15/h2-7H2,1H3,(H,14,15)
InChIKey YQCGMUBYBKDIHK-UHFFFAOYSA-N
Molecular Weight 236.267 g/mol
SMILES OC(C12CC(C34CC(C4)(C(=O)OC)C3)(C1)C2)=O
SPLASH splash10-001l-7900000000-fe19238b501e290a11da
Source of Spectrum C-114-615-2
Wiley ID 1238125