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Benzoic acid, 2-[5-(4-chlorophenyl)-3-isoxazolyl]-
SpectraBase Compound ID 3zzZkHJd0BO
InChI InChI=1S/C16H10ClNO3/c17-11-7-5-10(6-8-11)15-9-14(18-21-15)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,19,20)
InChIKey CWYTZOVUPSLWEY-UHFFFAOYSA-N
Mol Weight 299.71 g/mol
Molecular Formula C16H10ClNO3
Exact Mass 299.034921 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwdhWtXLzlQ
Name Benzoic acid, 2-[5-(4-chlorophenyl)-3-isoxazolyl]-
CAS Registry Number 65349-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10ClNO3
InChI InChI=1S/C16H10ClNO3/c17-11-7-5-10(6-8-11)15-9-14(18-21-15)12-3-1-2-4-13(12)16(19)20/h1-9H,(H,19,20)
InChIKey CWYTZOVUPSLWEY-UHFFFAOYSA-N
Molecular Weight 299.713 g/mol
SMILES OC(c1c(-c2noc(c2)-c2ccc(cc2)Cl)cccc1)=O
SPLASH splash10-000i-0921000000-8df4866852587407c6bd
Source of Spectrum B-30-2240-0
Synonyms 2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]benzoic acid 2-[5-(4-chlorophenyl)-3-isoxazolyl]benzoic acid 2-[5-(4-chlorophenyl)isoxazol-3-yl]benzoic acid
Wiley ID 1301907