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5'-Methyl-2,2'-spirobiindan-5-carboxylic acid, methyl ester
SpectraBase Compound ID KfmAQgvkgsX
InChI InChI=1S/C20H20O2/c1-13-3-4-15-9-20(11-17(15)7-13)10-16-6-5-14(19(21)22-2)8-18(16)12-20/h3-8H,9-12H2,1-2H3
InChIKey YKIRYESHVFGFEE-UHFFFAOYSA-N
Mol Weight 292.38 g/mol
Molecular Formula C20H20O2
Exact Mass 292.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fk1SoEIJObF
Name 5'-Methyl-2,2'-spirobiindan-5-carboxylic acid, methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 292.146329882 u
Formula C20H20O2
InChI InChI=1S/C20H20O2/c1-13-3-4-15-9-20(11-17(15)7-13)10-16-6-5-14(19(21)22-2)8-18(16)12-20/h3-8H,9-12H2,1-2H3
InChIKey YKIRYESHVFGFEE-UHFFFAOYSA-N
Molecular Weight 292.378 g/mol
SMILES C=12C=CC(=CC1CC1(C2)CC=2C=C(C=CC2C1)C(OC)=O)C