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[(3)-(anti)-[2.2]Metacyclophan-4-yl] propionic acid
SpectraBase Compound ID H1G0mdGiyhR
InChI InChI=1S/C19H20O2/c20-19(21)11-10-17-8-6-16-5-4-14-2-1-3-15(12-14)7-9-18(17)13-16/h1-3,6,8,12-13H,4-5,7,9-11H2,(H,20,21)
InChIKey LTVSZFROHZLQJN-UHFFFAOYSA-N
Mol Weight 280.37 g/mol
Molecular Formula C19H20O2
Exact Mass 280.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cUd2dr7a6S
Name [(3)-(anti)-[2.2]Metacyclophan-4-yl] propionic acid
Alternate Name(s) 3-tricyclo[9.3.1.1(4,8)]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-ylpropanoic acid
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Formula C19H20O2
InChI InChI=1S/C19H20O2/c20-19(21)11-10-17-8-6-16-5-4-14-2-1-3-15(12-14)7-9-18(17)13-16/h1-3,6,8,12-13H,4-5,7,9-11H2,(H,20,21)
InChIKey LTVSZFROHZLQJN-UHFFFAOYSA-N
Molecular Weight 280.367 g/mol
SMILES OC(CCc1c2cc(cc1)CCc1cc(CC2)ccc1)=O
SPLASH splash10-0a4i-0290000000-8379b7cb735254a8a158
Source of Spectrum K-126-172-15
Wiley ID 1284415