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(2.2.1.1)Pagodane
SpectraBase Compound ID bKh09VhzYr
InChI InChI=1S/C22H24/c1-2-8-16-10-4-3-9-15(16)7(1)19-11-5-12-18-14-6-13(17(11)18)21(9,19)22(10,14)20(8,12)19/h7-18H,1-6H2
InChIKey UJIRLNQTRSAUBU-UHFFFAOYSA-N
Mol Weight 288.43 g/mol
Molecular Formula C22H24
Exact Mass 288.187801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVnCsdm3KHY
Name (2.2.1.1)Pagodane
CAS Registry Number 107914-52-3
Comments CHEMICAL BONDS BETWEEN C6-C14 AND C12-C13 ARE NOT REPRESENTABLE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H24
InChI InChI=1S/C22H24/c1-2-8-16-10-4-3-9-15(16)7(1)19-11-5-12-18-14-6-13(17(11)18)21(9,19)22(10,14)20(8,12)19/h7-18H,1-6H2
InChIKey UJIRLNQTRSAUBU-UHFFFAOYSA-N
Instrument Name SF = 200 MHz
Literature Reference G.K. Praksh, V. Krishnamurthy, R. Herges, J. Am. Chem. Soc. 110, 7764 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3