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(4a-Methyl-5-(4-methyl-phenylsulfonyloxy)-hexahydro-1ah-naphthoxyrenylidene)-acetic acid, methyl ester
SpectraBase Compound ID 3eQ12AL2602
InChI InChI=1S/C21H26O6S/c1-14-6-8-16(9-7-14)28(23,24)27-17-5-4-11-21-19(26-21)15(13-18(22)25-3)10-12-20(17,21)2/h6-9,13,17,19H,4-5,10-12H2,1-3H3/b15-13+
InChIKey FGHBRJWZFACGHL-FYWRMAATSA-N
Mol Weight 406.49 g/mol
Molecular Formula C21H26O6S
Exact Mass 406.14501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6tglQnlvOXz
Name (4a-Methyl-5-(4-methyl-phenylsulfonyloxy)-hexahydro-1ah-naphthoxyrenylidene)-acetic acid, methyl ester
CAS Registry Number 84129-94-2
Comments (1AA,2E,4AB,5B)-ISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H26O6S
InChI InChI=1S/C21H26O6S/c1-14-6-8-16(9-7-14)28(23,24)27-17-5-4-11-21-19(26-21)15(13-18(22)25-3)10-12-20(17,21)2/h6-9,13,17,19H,4-5,10-12H2,1-3H3/b15-13+
InChIKey FGHBRJWZFACGHL-FYWRMAATSA-N
Instrument Name Varian CFT-20
Literature Reference N. Bensel, H. Marschall, Liebigs Ann. Chem. 1781 (1982).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3