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4-Iodophenyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
SpectraBase Compound ID AI4UVSsVcGb
InChI InChI=1S/C17H11ClINO3/c1-10-15(17(21)22-12-8-6-11(19)7-9-12)16(20-23-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKey KJUWOVJPYHQWAP-UHFFFAOYSA-N
Mol Weight 439.64 g/mol
Molecular Formula C17H11ClINO3
Exact Mass 438.947216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1d4oWZJvpZ1
Name 4-Iodophenyl 3-(2-chlorophenyl)-5-methyl-4-isoxazolecarboxylate
Alternate Name(s) (4-iodophenyl) 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate (4-iodophenyl) 3-(2-chlorophenyl)-5-methyl-isoxazole-4-carboxylate 3-(2-Chlorophenyl)-5-methyl-4-isoxazolecarboxylic acid (4-iodophenyl) ester 3-(2-Chlorophenyl)-5-methyl-isoxazole-4-carboxylic acid (4-iodophenyl) ester
CAS Registry Number 312947-39-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClINO3
InChI InChI=1S/C17H11ClINO3/c1-10-15(17(21)22-12-8-6-11(19)7-9-12)16(20-23-10)13-4-2-3-5-14(13)18/h2-9H,1H3
InChIKey KJUWOVJPYHQWAP-UHFFFAOYSA-N
Molecular Weight 439.636 g/mol
SMILES c1(c(C(Oc2ccc(I)cc2)=O)c(C)on1)-c1c(cccc1)Cl
SPLASH splash10-00fr-3960000000-0f089c5f04c285c51e00
Wiley ID 1459362