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5-Chloro-3-phenyl-4-isoxazolecarboxylic acid

View entire compound with spectra: 1 MS (GC)

5-Chloro-3-phenyl-4-isoxazolecarboxylic acid
SpectraBase Compound ID JjwPbrtZGYy
InChI InChI=1S/C10H6ClNO3/c11-9-7(10(13)14)8(12-15-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey NOODULVPGVRXRA-UHFFFAOYSA-N
Mol Weight 223.61 g/mol
Molecular Formula C10H6ClNO3
Exact Mass 223.003621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SzgE0nBVqv
Name 5-Chloro-3-phenyl-4-isoxazolecarboxylic acid
Alternate Name(s) 5-Chloro-3-phenyl-1,2-oxazole-4-carboxylic acid 5-Chloranyl-3-phenyl-1,2-oxazole-4-carboxylic acid
CAS Registry Number 3357-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6ClNO3
InChI InChI=1S/C10H6ClNO3/c11-9-7(10(13)14)8(12-15-9)6-4-2-1-3-5-6/h1-5H,(H,13,14)
InChIKey NOODULVPGVRXRA-UHFFFAOYSA-N
Molecular Weight 223.615 g/mol
SMILES OC(c1c(noc1Cl)-c1ccccc1)=O
SPLASH splash10-004u-5930000000-4e2a633ce26de95c3201
Source of Spectrum J-51-946-17
Wiley ID 1223770