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(+-)-3-Methyl-6-(3-methyl-5-phenylisoxazol-4-yl)-6-oxohexanoic acid
SpectraBase Compound ID 7JLInQqEMO
InChI InChI=1S/C17H19NO4/c1-11(10-15(20)21)8-9-14(19)16-12(2)18-22-17(16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,20,21)
InChIKey VQWHDDLHHZOTOM-UHFFFAOYSA-N
Mol Weight 301.34 g/mol
Molecular Formula C17H19NO4
Exact Mass 301.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IM4ytFL7Dfk
Name (+-)-3-Methyl-6-(3-methyl-5-phenylisoxazol-4-yl)-6-oxohexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19NO4
InChI InChI=1S/C17H19NO4/c1-11(10-15(20)21)8-9-14(19)16-12(2)18-22-17(16)13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3,(H,20,21)
InChIKey VQWHDDLHHZOTOM-UHFFFAOYSA-N
Molecular Weight 301.342 g/mol
SMILES OC(CC(CCC(=O)c1c(noc1-c1ccccc1)C)C)=O
SPLASH splash10-08fr-2790000000-7d7fb554b34b1e1c44bc
Source of Spectrum H1-36-2262-0
Synonyms 3-Methyl-6-(3-methyl-5-phenyl-4-isoxazolyl)-6-oxohexanoic acid
Wiley ID 755641