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5,6,7,8-Tetrahydro-2-(T-butyl-dimethyl-silyloxymethyl)-5,5-bis(methylthio)-8-pentyl-4H-oxocen-4-one
SpectraBase Compound ID 4vHN66IbEU7
InChI InChI=1S/C21H40O3S2Si/c1-9-10-11-12-17-13-14-21(25-5,26-6)19(22)15-18(24-17)16-23-27(7,8)20(2,3)4/h15,17H,9-14,16H2,1-8H3/b18-15-
InChIKey SPCRORDDLSRNGG-SDXDJHTJSA-N
Mol Weight 432.8 g/mol
Molecular Formula C21H40O3S2Si
Exact Mass 432.218814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1hQ8xwKMGxT
Name 5,6,7,8-Tetrahydro-2-(T-butyl-dimethyl-silyloxymethyl)-5,5-bis(methylthio)-8-pentyl-4H-oxocen-4-one
CAS Registry Number 115482-15-0
Comments MORE LINES THAN POSSIBILITY FOR ASSIGNMENTS: 32.00 AND 79.79 ARE ELEMINATED, SHIFTCORRECTION: +0.3 PPM - REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H40O3S2Si
InChI InChI=1S/C21H40O3S2Si/c1-9-10-11-12-17-13-14-21(25-5,26-6)19(22)15-18(24-17)16-23-27(7,8)20(2,3)4/h15,17H,9-14,16H2,1-8H3/b18-15-
InChIKey SPCRORDDLSRNGG-SDXDJHTJSA-N
Instrument Name SF = 250 MHz
Literature Reference S.L. Schreiber, S.E. Kelly, J.A.Porco, J. Am. Chem. Soc. 110, 6210 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3