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6-bromo-4-isopropyl-m-cresol, benzoate
SpectraBase Compound ID 3805zU1WMi8
InChI InChI=1S/C17H17BrO2/c1-11(2)14-10-15(18)16(9-12(14)3)20-17(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKey XXAVBOHGBSWJQP-UHFFFAOYSA-N
Mol Weight 333.23 g/mol
Molecular Formula C17H17BrO2
Exact Mass 332.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQXJwWFgGgz
Name 2-Bromo-5-methyl-4-(1-methylethyl)phenyl benzoate
Comments Less than 3 mono-isotopic peaks
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Formula C17H17BrO2
InChI InChI=1S/C17H17BrO2/c1-11(2)14-10-15(18)16(9-12(14)3)20-17(19)13-7-5-4-6-8-13/h4-11H,1-3H3
InChIKey XXAVBOHGBSWJQP-UHFFFAOYSA-N
Molecular Weight 333.225 g/mol
SMILES C(Oc1c(cc(c(c1)C)C(C)C)Br)(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-8acee7f9d8befd9be380
Source of Spectrum SO-0-739-4
Synonyms 2-bromo-4-isopropyl-5-methylphenyl benzoate
Wiley ID 1543358