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3-(4-Chlorophenyl)methyl-4-(2-iodoethyl)isoxazole
SpectraBase Compound ID 68SqkAO8CLY
InChI InChI=1S/C12H11ClINO/c13-11-3-1-9(2-4-11)7-12-10(5-6-14)8-16-15-12/h1-4,8H,5-7H2
InChIKey WPEBKUIYEBCNCV-UHFFFAOYSA-N
Mol Weight 347.58 g/mol
Molecular Formula C12H11ClINO
Exact Mass 346.957387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fu6cNrNQRxO
Name 3-(4-Chlorophenyl)methyl-4-(2-iodoethyl)isoxazole
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClINO
InChI InChI=1S/C12H11ClINO/c13-11-3-1-9(2-4-11)7-12-10(5-6-14)8-16-15-12/h1-4,8H,5-7H2
InChIKey WPEBKUIYEBCNCV-UHFFFAOYSA-N
Molecular Weight 347.583 g/mol
SMILES c1(nocc1CCI)Cc1ccc(cc1)Cl
SPLASH splash10-00fr-0593000000-503a9ef191e2d94b446f
Source of Spectrum O1-60-1629-4
Synonyms 3-(4-Chlorobenzyl)-4-(2-iodoethyl)isoxazole
Wiley ID 1592161