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2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid, tms
SpectraBase Compound ID Kaai61LiO3Q
InChI InChI=1S/C12H16O4Si/c1-17(2,3)16-12(13)11-8-14-9-6-4-5-7-10(9)15-11/h4-7,11H,8H2,1-3H3
InChIKey BSKCREWRHKHEPR-UHFFFAOYSA-N
Mol Weight 252.34 g/mol
Molecular Formula C12H16O4Si
Exact Mass 252.081786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CuoH511C89C
Name 2,3-Dihydro-1,4-benzodioxine-2-carboxylic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 252.081785526 u
Formula C12H16O4Si
InChI InChI=1S/C12H16O4Si/c1-17(2,3)16-12(13)11-8-14-9-6-4-5-7-10(9)15-11/h4-7,11H,8H2,1-3H3
InChIKey BSKCREWRHKHEPR-UHFFFAOYSA-N
Molecular Weight 252.341 g/mol
SMILES C(O[Si](C)(C)C)(=O)C1OC2=C(OC1)C=CC=C2