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3-(2-Chlorobenzyl)-4-(2-iodoethyl)isoxazole

View entire compound with spectra: 1 MS (GC)

3-(2-Chlorobenzyl)-4-(2-iodoethyl)isoxazole
SpectraBase Compound ID GE8OEBdgsD5
InChI InChI=1S/C12H11ClINO/c13-11-4-2-1-3-9(11)7-12-10(5-6-14)8-16-15-12/h1-4,8H,5-7H2
InChIKey QKKWMDGMUFEQQV-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 dyS6SpjXRg
Name 3-(2-Chlorobenzyl)-4-(2-iodoethyl)isoxazole
Alternate Name(s) 3-[(2-chlorophenyl)methyl]-4-(2-iodanylethyl)-1,2-oxazole 3-[(2-chlorophenyl)methyl]-4-(2-iodoethyl)-1,2-oxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11ClINO
InChI InChI=1S/C12H11ClINO/c13-11-4-2-1-3-9(11)7-12-10(5-6-14)8-16-15-12/h1-4,8H,5-7H2
InChIKey QKKWMDGMUFEQQV-UHFFFAOYSA-N
Molecular Weight 347.583 g/mol
SMILES c1(nocc1CCI)Cc1c(cccc1)Cl
SPLASH splash10-03di-0409000000-fc445f649f3a62a5e3fc
Source of Spectrum O1-60-1629-4
Wiley ID 1592162