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Methyl-dodecahedrane
SpectraBase Compound ID IkmPvtNHb8A
InChI InChI=1S/C21H22/c1-21-18-12-6-3-2-4-8(6)14(18)16-10(4)11-5(2)9-7(3)13(12)19(21)15(9)17(11)20(16)21/h2-20H,1H3
InChIKey RHPOXLAHLPUPFZ-UHFFFAOYSA-N
Mol Weight 274.41 g/mol
Molecular Formula C21H22
Exact Mass 274.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KnjBZSDsWVB
Name Methyl-dodecahedrane
Comments CHEMICAL BONDS BETWEEN C1-C5 AND C1-C11 ARE NOT REPRESENTABLE
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Formula C21H22
InChI InChI=1S/C21H22/c1-21-18-12-6-3-2-4-8(6)14(18)16-10(4)11-5(2)9-7(3)13(12)19(21)15(9)17(11)20(16)21/h2-20H,1H3
InChIKey RHPOXLAHLPUPFZ-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