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3-(2,6-Dimethylphenyl)-1,2-benzisoxazole
SpectraBase Compound ID EhCWgyVQOb1
InChI InChI=1S/C15H13NO/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)17-16-15/h3-9H,1-2H3
InChIKey BQZDSCDXHRFDII-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C15H13NO
Exact Mass 223.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlzgBt6yVi5
Name 3-(2,6-Dimethylphenyl)-1,2-benzisoxazole
CAS Registry Number 87828-91-9
Comments Less than 3 mono-isotopic peaks
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Formula C15H13NO
InChI InChI=1S/C15H13NO/c1-10-6-5-7-11(2)14(10)15-12-8-3-4-9-13(12)17-16-15/h3-9H,1-2H3
InChIKey BQZDSCDXHRFDII-UHFFFAOYSA-N
Molecular Weight 223.275 g/mol
SMILES c1(noc2c1cccc2)-c1c(cccc1C)C
SPLASH splash10-00di-0090000000-7f877eaa2efaa66b660a
Source of Spectrum J-49-183-0
Synonyms 3-(2,6-dimethylphenyl)-1,2-benzoxazole
Wiley ID 1224208