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Methyl (2R,3aS, 7aS)-3a,4,7,7a-tetrahydro-6-methyl-4-oxo-3a-phenylsulfonyl-2-indanecarboxylate
SpectraBase Compound ID LUaKk7hAV2s
InChI InChI=1S/C18H20O5S/c1-12-8-14-10-13(17(20)23-2)11-18(14,16(19)9-12)24(21,22)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-11H2,1-2H3
InChIKey DEFURDMKANRPBC-UHFFFAOYSA-N
Mol Weight 348.41 g/mol
Molecular Formula C18H20O5S
Exact Mass 348.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1CK7eaTU2BV
Name Methyl (2R,3aS, 7aS)-3a,4,7,7a-tetrahydro-6-methyl-4-oxo-3a-phenylsulfonyl-2-indanecarboxylate
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Formula C18H20O5S
InChI InChI=1S/C18H20O5S/c1-12-8-14-10-13(17(20)23-2)11-18(14,16(19)9-12)24(21,22)15-6-4-3-5-7-15/h3-7,9,13-14H,8,10-11H2,1-2H3
InChIKey DEFURDMKANRPBC-UHFFFAOYSA-N
Instrument Name SF = 300 MHz
Literature Reference L.A. Paquette, H.S. Lin, B.P.Gunn, J. Am. Chem. Soc. 110, 5818 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3