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4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole

View entire compound with spectra: 1 MS (GC)

4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole
SpectraBase Compound ID 8fPcPIQ2Xet
InChI InChI=1S/C12H11Cl2NO/c1-7-9(8(2)16-15-7)6-10-11(13)4-3-5-12(10)14/h3-5H,6H2,1-2H3
InChIKey VGNJLSIZHGSJOS-UHFFFAOYSA-N
Mol Weight 256.13 g/mol
Molecular Formula C12H11Cl2NO
Exact Mass 255.021769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dy1XQh8uILX
Name 4-(2,6-Dichlorobenzyl)-3,5-dimethylisoxazole
CAS Registry Number 338962-68-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11Cl2NO
InChI InChI=1S/C12H11Cl2NO/c1-7-9(8(2)16-15-7)6-10-11(13)4-3-5-12(10)14/h3-5H,6H2,1-2H3
InChIKey VGNJLSIZHGSJOS-UHFFFAOYSA-N
Molecular Weight 256.132 g/mol
SMILES c1(Cc2c(Cl)cccc2Cl)c(onc1C)C
SPLASH splash10-05fu-6980000000-e01d20304d62c0433fe8
Source of Spectrum AD-0-2532-0
Synonyms 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-1,2-oxazole 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethyl-isoxazole 4-[[2,6-bis(chloranyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole Isoxazole, 4-(2,6-dichlorobenzyl)-3,5-dimethyl- 4-[(2,6-dichlorophenyl)methyl]-3,5-dimethylisoxazole
Wiley ID 1424003