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5-methyl-4-phenyl-isoxazole-3-carboxylic acid ethyl ester
SpectraBase Compound ID 3YFFqgvwtDm
InChI InChI=1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)17-14-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey IGQQSYKZUJMYIT-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6uHwMJHQUZX
Name 5-Methyl-4-phenyl-3-isoxazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-3-16-13(15)12-11(9(2)17-14-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKey IGQQSYKZUJMYIT-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES c1(noc(c1-c1ccccc1)C)C(=O)OCC
SPLASH splash10-0ufr-2920000000-7d49a3f7fa673aad5608
Source of Spectrum SO-0-69-15
Synonyms 5-Methyl-4-phenyl-isoxazole-3-carboxylic acid ethyl ester Ethyl 5-methyl-4-phenyl-1,2-oxazole-3-carboxylate Ethyl 5-methyl-4-phenyl-isoxazole-3-carboxylate
Wiley ID 873083