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3-(Benzoyloxy)-.alpha.,.alpha.,alpha'.-tribromo-5-(t-butyl)-o-xylene
SpectraBase Compound ID HeGqrnshMmP
InChI InChI=1S/C19H19Br3O2/c1-19(2,3)13-9-14(17(21)22)15(11-20)16(10-13)24-18(23)12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3
InChIKey LQAHHVWRULLUNP-UHFFFAOYSA-N
Mol Weight 519.07 g/mol
Molecular Formula C19H19Br3O2
Exact Mass 515.893519 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDUQIzgHkto
Name 3-(Benzoyloxy)-.alpha.,.alpha.,alpha'.-tribromo-5-(t-butyl)-o-xylene
Alternate Name(s) benzoic acid[2-(bromomethyl)-5-tert-butyl-3-(dibromomethyl)phenyl]ester [2-(bromomethyl)-5-tert-butyl-3-(dibromomethyl)phenyl]benzoate [3-[bis(bromanyl)methyl]-2-(bromomethyl)-5-tert-butyl-phenyl]benzoate [2-(bromomethyl)-5-tert-butyl-3-(dibromomethyl)phenyl] benzoate [3-[bis(bromanyl)methyl]-2-(bromomethyl)-5-tert-butyl-phenyl] benzoate
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Formula C19H19Br3O2
InChI InChI=1S/C19H19Br3O2/c1-19(2,3)13-9-14(17(21)22)15(11-20)16(10-13)24-18(23)12-7-5-4-6-8-12/h4-10,17H,11H2,1-3H3
InChIKey LQAHHVWRULLUNP-UHFFFAOYSA-N
Molecular Weight 519.071 g/mol
SMILES c1(c(c(C(Br)Br)cc(c1)C(C)(C)C)CBr)OC(=O)c1ccccc1
SPLASH splash10-0a70-7600910000-23f2d90c8aec155c5b91
Source of Spectrum K1-2001-3060-14
Wiley ID 814094