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4-Isoxazolecarboxylic acid, 5-ethyl-3-phenyl-

View entire compound with spectra: 1 MS (GC)

4-Isoxazolecarboxylic acid, 5-ethyl-3-phenyl-
SpectraBase Compound ID Awb7SLIMQnj
InChI InChI=1S/C12H11NO3/c1-2-9-10(12(14)15)11(13-16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKey BKVNATITQUEJFR-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Ba1lCG42qf
Name 4-Isoxazolecarboxylic acid, 5-ethyl-3-phenyl-
CAS Registry Number 91569-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-9-10(12(14)15)11(13-16-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,14,15)
InChIKey BKVNATITQUEJFR-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES OC(c1c(noc1CC)-c1ccccc1)=O
SPLASH splash10-00n3-6930000000-bcc5a64a71dfea31caea
Source of Spectrum J-50-5665-6
Synonyms 5-Ethyl-3-phenyl-1,2-oxazole-4-carboxylic acid 5-Ethyl-3-phenyl-4-isoxazolecarboxylic acid 5-Ethyl-3-phenyl-isoxazole-4-carboxylic acid
Wiley ID 1216543