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3-(3-Chloro-5-isoxazolyl)propanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(3-Chloro-5-isoxazolyl)propanoic acid
SpectraBase Compound ID CgLgnMxZXi8
InChI InChI=1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)
InChIKey ZGQBVKLPCMHTEI-UHFFFAOYSA-N
Mol Weight 175.57 g/mol
Molecular Formula C6H6ClNO3
Exact Mass 175.003621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0O9WZk0xXM
Name 3-(3-Chloro-5-isoxazolyl)propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6ClNO3
InChI InChI=1S/C6H6ClNO3/c7-5-3-4(11-8-5)1-2-6(9)10/h3H,1-2H2,(H,9,10)
InChIKey ZGQBVKLPCMHTEI-UHFFFAOYSA-N
Molecular Weight 175.571 g/mol
SMILES OC(CCc1onc(c1)Cl)=O
SPLASH splash10-0561-9400000000-e8b475a2c1d5a5636c63
Synonyms 3-(3-Chloranyl-1,2-oxazol-5-yl)propanoic acid 3-(3-Chloro-1,2-oxazol-5-yl)propanoic acid 3-(3-Chloroisoxazol-5-yl)propanoic acid 3-(3-Chloroisoxazol-5-yl)propionic acid
Wiley ID 1511688