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Tubaic acid

View entire compound with spectra: 1 MS (GC)

Tubaic acid
SpectraBase Compound ID 9tCFJ8zSmsX
InChI InChI=1S/C12H12O4/c1-6(2)10-5-8-9(16-10)4-3-7(11(8)13)12(14)15/h3-4,10,13H,1,5H2,2H3,(H,14,15)/t10-/m1/s1
InChIKey CMXGHLJKXLIMAQ-SNVBAGLBSA-N
Mol Weight 220.22 g/mol
Molecular Formula C12H12O4
Exact Mass 220.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CuDJsdvGq
Name Tubaic acid
Alternate Name(s) (2R)-4-hydroxy-2-(1-methylethenyl)-2,3-dihydrobenzofuran-5-carboxylic acid (2R)-4-hydroxy-2-isopropenyl-2,3-dihydrobenzofuran-5-carboxylic acid (2R)-4-hydroxy-2-isopropenyl-coumaran-5-carboxylic acid (2R)-4-hydroxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid (2R)-4-oxidanyl-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid
CAS Registry Number 526-48-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O4
InChI InChI=1S/C12H12O4/c1-6(2)10-5-8-9(16-10)4-3-7(11(8)13)12(14)15/h3-4,10,13H,1,5H2,2H3,(H,14,15)/t10-/m1/s1
InChIKey CMXGHLJKXLIMAQ-SNVBAGLBSA-N
Molecular Weight 220.224 g/mol
SMILES OC(c1c(c2C[C@@](Oc2cc1)(C(=C)C)[H])O)=O
SPLASH splash10-00dr-0930000000-4c4b5c5eb68aadef5275
Source of Spectrum SL-0-57-8
Wiley ID 1219648