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5-Carboxy-1,1,3,3-tetramethyl-1,3-dihydroisobenzofuran
SpectraBase Compound ID 3YOyb8wjJbI
InChI InChI=1S/C13H16O3/c1-12(2)9-6-5-8(11(14)15)7-10(9)13(3,4)16-12/h5-7H,1-4H3,(H,14,15)
InChIKey MTZCKSAWDIYFLR-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J3r0nGlgUUf
Name 5-Carboxy-1,1,3,3-tetramethyl-1,3-dihydroisobenzofuran
Alternate Name(s) 1,1,3,3-tetramethyl-1,3-dihydro-2-benzofuran-5-carboxylic acid 1,1,3,3-tetramethyl-5-isobenzofurancarboxylic acid 1,1,3,3-tetramethylisobenzofuran-5-carboxylic acid 1,1,3,3-tetramethyl-2-benzofuran-5-carboxylic acid
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Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-12(2)9-6-5-8(11(14)15)7-10(9)13(3,4)16-12/h5-7H,1-4H3,(H,14,15)
InChIKey MTZCKSAWDIYFLR-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES OC(c1cc2C(OC(c2cc1)(C)C)(C)C)=O
SPLASH splash10-0a4i-0290000000-ee0f90f52b68aa9e2d58
Source of Spectrum F-48-10573-6
Wiley ID 1219977