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(4R,5R) 3-(4-tert-Butylphenyl)-4-methyl-2-isoxazole-5-carboxylic acid
SpectraBase Compound ID G0mHBZ0YlQL
InChI InChI=1S/C15H19NO3/c1-9-12(16-19-13(9)14(17)18)10-5-7-11(8-6-10)15(2,3)4/h5-9,13H,1-4H3,(H,17,18)/t9-,13-/m1/s1
InChIKey MTGKHLWDOZMONN-NOZJJQNGSA-N
Mol Weight 261.32 g/mol
Molecular Formula C15H19NO3
Exact Mass 261.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1ISab1rGGO
Name (4R,5R) 3-(4-tert-Butylphenyl)-4-methyl-2-isoxazole-5-carboxylic acid
Alternate Name(s) (4R,5R)-3-(4-tert-butylphenyl)-4-methyl-4,5-dihydro-5-isoxazolecarboxylic acid 3-(4-tert-Butylphenyl)-4-methyl-2-isoxazole-5-carboxylic acid
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Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-9-12(16-19-13(9)14(17)18)10-5-7-11(8-6-10)15(2,3)4/h5-9,13H,1-4H3,(H,17,18)/t9-,13-/m1/s1
InChIKey MTGKHLWDOZMONN-NOZJJQNGSA-N
Molecular Weight 261.321 g/mol
SMILES OC([C@@]1(ON=C([C@]1(C)[H])c1ccc(C(C)(C)C)cc1)[H])=O
SPLASH splash10-015a-9150000000-bc1dcc629f5ef4d7854c
Source of Spectrum QE-12-8578-25
Wiley ID 1587380