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Spiro(benzofuran-2(3H),1'-4'-methyl-2'-phenylseleno-cyclohexane)-3(R)-carboxylic acid, methyl ester
SpectraBase Compound ID B3ToO5jsDQI
InChI InChI=1S/C22H24O3Se/c1-15-12-13-22(19(14-15)26-16-8-4-3-5-9-16)20(21(23)24-2)17-10-6-7-11-18(17)25-22/h3-11,15,19-20H,12-14H2,1-2H3
InChIKey GDFYAJCBJVXQJS-UHFFFAOYSA-N
Mol Weight 415.4 g/mol
Molecular Formula C22H24O3Se
Exact Mass 416.089067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bz9go5S5rh1
Name Spiro(benzofuran-2(3H),1'-4'-methyl-2'-phenylseleno-cyclohexane)-3(R)-carboxylic acid, methyl ester
CAS Registry Number 89955-28-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H24O3Se
InChI InChI=1S/C22H24O3Se/c1-15-12-13-22(19(14-15)26-16-8-4-3-5-9-16)20(21(23)24-2)17-10-6-7-11-18(17)25-22/h3-11,15,19-20H,12-14H2,1-2H3
InChIKey GDFYAJCBJVXQJS-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference A.G. Schultz, J.J. Napier, P. Sundararam, J. Am. Chem. Soc. 106, 3590 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3