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Benzoic acid, 4-chloro-, 4-[[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl]phenyl ester
SpectraBase Compound ID 7HFPOv5VhUF
InChI InChI=1S/C23H14ClNO4/c24-18-10-8-17(9-11-18)22(26)28-19-12-6-15(7-13-19)14-20-21(25-29-23(20)27)16-4-2-1-3-5-16/h1-14H/b20-14-
InChIKey OBJJYOYEMPZMEZ-ZHZULCJRSA-N
Mol Weight 403.82 g/mol
Molecular Formula C23H14ClNO4
Exact Mass 403.061136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ht6cAfJBOlx
Name Benzoic acid, 4-chloro-, 4-[[5-oxo-3-phenyl-4(5H)-isoxazolyliden]methyl]phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14ClNO4
InChI InChI=1S/C23H14ClNO4/c24-18-10-8-17(9-11-18)22(26)28-19-12-6-15(7-13-19)14-20-21(25-29-23(20)27)16-4-2-1-3-5-16/h1-14H/b20-14-
InChIKey OBJJYOYEMPZMEZ-ZHZULCJRSA-N
Molecular Weight 403.821 g/mol
SMILES C=1(\C(C(ON1)=O)=C\c1ccc(OC(c2ccc(cc2)Cl)=O)cc1)c1ccccc1
SPLASH splash10-000i-3900000000-684e8b872cf9fce1d689
Source of Spectrum IY-1-4658-5
Synonyms 4-Chlorobenzoic acid [4-[(Z)-(5-oxo-3-phenyl-4-isoxazolylidene)methyl]phenyl] ester [4-[(Z)-(5-oxo-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate [4-[(Z)-(5-oxo-3-phenyl-isoxazol-4-ylidene)methyl]phenyl] 4-chlorobenzoate [4-[(Z)-(5-oxidanylidene-3-phenyl-1,2-oxazol-4-ylidene)methyl]phenyl] 4-chloranylbenzoate
Wiley ID 1654568