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2-Bromanyl-5-tert-butyl-benzene-1,3-dicarboxylic acid
SpectraBase Compound ID 9lkgCr9DEDq
InChI InChI=1S/C12H13BrO4/c1-12(2,3)6-4-7(10(14)15)9(13)8(5-6)11(16)17/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKey OZAYOMJBHRYFOQ-UHFFFAOYSA-N
Mol Weight 301.14 g/mol
Molecular Formula C12H13BrO4
Exact Mass 299.999722 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bs360BH6VYH
Name 2-Bromanyl-5-tert-butyl-benzene-1,3-dicarboxylic acid
Alternate Name(s) 2-Bromo-5-tert-butyl-benzene-1,3-dicarboxylic acid 2-Bromo-5-tert-butyl-isophthalic acid
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Formula C12H13BrO4
InChI InChI=1S/C12H13BrO4/c1-12(2,3)6-4-7(10(14)15)9(13)8(5-6)11(16)17/h4-5H,1-3H3,(H,14,15)(H,16,17)
InChIKey OZAYOMJBHRYFOQ-UHFFFAOYSA-N
Molecular Weight 301.136 g/mol
SMILES OC(c1c(c(C(=O)O)cc(c1)C(C)(C)C)Br)=O
SPLASH splash10-000i-0091000000-c33fc60d3a964adbfb51
Source of Spectrum F-53-10136-9
Wiley ID 802999