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5-Phenyl-isoxazole-3-carboxylic acid, ethyl ester
SpectraBase Compound ID 8j6cn6dyI23
InChI InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey DSUXKYCDKKYGKX-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 icv8Fw6q3e
Name 3-Isoxazolecarboxylic acid, 5-phenyl-, ethyl ester
CAS Registry Number 7063-99-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-2-15-12(14)10-8-11(16-13-10)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKey DSUXKYCDKKYGKX-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES c1ccc(cc1)-c1cc(C(=O)OCC)no1
SPLASH splash10-0ar0-3940000000-cbf19135200b06b37e80
Source of Spectrum K1-0-4857-7
Synonyms Ethyl 5-phenyl-3-isoxazolecarboxylate 5-Phenyl-3-isoxazolecarboxylic acid ethyl ester 5-Phenylisoxazole-3-carboxylic acid ethyl ester Ethyl 5-phenyl-1,2-oxazole-3-carboxylate Ethyl 5-phenylisoxazole-3-carboxylate
Wiley ID 1589758