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5-(t-Butyl)-2-methoxyisophthalic acid
SpectraBase Compound ID A9GLRCoOr5X
InChI InChI=1S/C13H16O5/c1-13(2,3)7-5-8(11(14)15)10(18-4)9(6-7)12(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17)
InChIKey XBTRQAFGJLHSOE-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C13H16O5
Exact Mass 252.099774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aKyQmCezlb
Name 5-(t-Butyl)-2-methoxyisophthalic acid
Alternate Name(s) 5-tert-Butyl-2-methoxyisophthalic acid
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Formula C13H16O5
InChI InChI=1S/C13H16O5/c1-13(2,3)7-5-8(11(14)15)10(18-4)9(6-7)12(16)17/h5-6H,1-4H3,(H,14,15)(H,16,17)
InChIKey XBTRQAFGJLHSOE-UHFFFAOYSA-N
Molecular Weight 252.266 g/mol
SMILES OC(c1c(c(C(=O)O)cc(c1)C(C)(C)C)OC)=O
SPLASH splash10-000i-2090000000-6d4f1b2ef75d9719d5e6
Source of Spectrum H-81-498-9
Wiley ID 1255379