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(4R,5S)-3-(4-tert-Butylphenyl)-5-methyl-2-isoxazole-4-carboxylic acid
SpectraBase Compound ID LGaoMpn1nbX
InChI InChI=1S/C15H19NO3/c1-9-12(14(17)18)13(16-19-9)10-5-7-11(8-6-10)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)
InChIKey DGVUNVUHWKSZGH-UHFFFAOYSA-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 ELlcLwUAceY
Name (4R,5S)-3-(4-tert-Butylphenyl)-5-methyl-2-isoxazole-4-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO3
InChI InChI=1S/C15H19NO3/c1-9-12(14(17)18)13(16-19-9)10-5-7-11(8-6-10)15(2,3)4/h5-9,12H,1-4H3,(H,17,18)
InChIKey DGVUNVUHWKSZGH-UHFFFAOYSA-N
Molecular Weight 261.321 g/mol
SMILES OC(C1C(=NOC1C)c1ccc(C(C)(C)C)cc1)=O
SPLASH splash10-0002-0090000000-e2233c563863536bf746
Source of Spectrum QE-12-8578-24
Synonyms 3-(4-tert-Butylphenyl)-5-methyl-2-isoxazole-4-carboxylic acid 3-(4-tert-butylphenyl)-5-methyl-4,5-dihydro-4-isoxazolecarboxylic acid
Wiley ID 1587383