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Benzoic acid, 3-bromo-4-(3-methylbenzoyloxy)-, methyl ester
SpectraBase Compound ID ImrUUZVnPPO
InChI InChI=1S/C16H13BrO4/c1-10-4-3-5-11(8-10)16(19)21-14-7-6-12(9-13(14)17)15(18)20-2/h3-9H,1-2H3
InChIKey XSCPIYHSPLMTHG-UHFFFAOYSA-N
Mol Weight 349.18 g/mol
Molecular Formula C16H13BrO4
Exact Mass 347.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LO6lN6hKWQw
Name Benzoic acid, 3-bromo-4-(3-methylbenzoyloxy)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrO4
InChI InChI=1S/C16H13BrO4/c1-10-4-3-5-11(8-10)16(19)21-14-7-6-12(9-13(14)17)15(18)20-2/h3-9H,1-2H3
InChIKey XSCPIYHSPLMTHG-UHFFFAOYSA-N
Molecular Weight 349.180 g/mol
SMILES C(Oc1c(cc(C(=O)OC)cc1)Br)(c1cc(C)ccc1)=O
SPLASH splash10-014i-9400000000-d25c8b8a183001273d77
Source of Spectrum AD-0-2532-0
Synonyms 3-Bromo-4-m-toluoyloxy-benzoic acid methyl ester 3-Bromo-4-[(3-methylphenyl)-oxomethoxy]benzoic acid methyl ester Methyl 3-bromanyl-4-(3-methylphenyl)carbonyloxy-benzoate Methyl 3-bromo-4-(3-methylbenzoyl)oxy-benzoate
Wiley ID 1421257