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Dodecahedryl carboxylic acid
SpectraBase Compound ID HqWIxms1wJy
InChI InChI=1S/C21H20O2/c22-20(23)21-17-11-5-2-1-3-7(5)13(17)15-9(3)10-4(1)8-6(2)12(11)18(21)14(8)16(10)19(15)21/h1-19H,(H,22,23)
InChIKey FWRUSNWRDRBGAW-UHFFFAOYSA-N
Mol Weight 304.39 g/mol
Molecular Formula C21H20O2
Exact Mass 304.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vpK9NzHblc
Name Dodecahedryl carboxylic acid
Comments CHEMICAL BONDS BETWEEN C1-C5 AND C1-C11 ARE NOT REPRESENTABLE
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Formula C21H20O2
InChI InChI=1S/C21H20O2/c22-20(23)21-17-11-5-2-1-3-7(5)13(17)15-9(3)10-4(1)8-6(2)12(11)18(21)14(8)16(10)19(15)21/h1-19H,(H,22,23)
InChIKey FWRUSNWRDRBGAW-UHFFFAOYSA-N
Instrument Name SF = 300 MHz
Literature Reference L.A. Paquette, J.C. Weber, T. Kobayashi, J. Am. Chem. Soc. 110, 8591 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3