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2-[(1R,2R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-yl]benzoic acid
SpectraBase Compound ID ENkD5ZPSlkP
InChI InChI=1S/C17H20O3/c1-16(2)12-8-9-17(16,3)14(18)13(12)10-6-4-5-7-11(10)15(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+,17+/m1/s1
InChIKey PSIQMOLHIODQNK-IGCXYCKISA-N
Mol Weight 272.34 g/mol
Molecular Formula C17H20O3
Exact Mass 272.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XVJW4zgzoT
Name 2-[(1R,2R,4R)-4,7,7-Trimethyl-3-oxobicyclo[2.2.1]hept-2-yl]benzoic acid
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Formula C17H20O3
InChI InChI=1S/C17H20O3/c1-16(2)12-8-9-17(16,3)14(18)13(12)10-6-4-5-7-11(10)15(19)20/h4-7,12-13H,8-9H2,1-3H3,(H,19,20)/t12-,13+,17+/m1/s1
InChIKey PSIQMOLHIODQNK-IGCXYCKISA-N
Molecular Weight 272.344 g/mol
SMILES OC(c1c([C@@]2(C([C@]3(C([C@]2([H])CC3)(C)C)C)=O)[H])cccc1)=O
SPLASH splash10-03or-0090000000-cdb219e9f4ecb852ddc4
Source of Spectrum F4-0-2703-3
Wiley ID 1620379