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9,10-Dihydro-10,9-(epithiomethano)-anthracene-12,12-dicarboxylic acid, diethyl ester S-oxide
SpectraBase Compound ID CFIepKRFJGY
InChI InChI=1S/C21H20O5S/c1-3-25-19(22)21(20(23)26-4-2)17-13-9-5-7-11-15(13)18(27(21)24)16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3/t17-,18+,27?
InChIKey QEDMHROQFRULJR-BRMUKTHMSA-N
Mol Weight 384.45 g/mol
Molecular Formula C21H20O5S
Exact Mass 384.103145 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oXfCnuG1lO
Name 9,10-Dihydro-10,9-(epithiomethano)-anthracene-12,12-dicarboxylic acid, diethyl ester S-oxide
Comments 50.3 MHZ SPECTRUM
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H20O5S
InChI InChI=1S/C21H20O5S/c1-3-25-19(22)21(20(23)26-4-2)17-13-9-5-7-11-15(13)18(27(21)24)16-12-8-6-10-14(16)17/h5-12,17-18H,3-4H2,1-2H3/t17-,18+,27?
InChIKey QEDMHROQFRULJR-BRMUKTHMSA-N
Instrument Name see comment
Literature Reference G.W. Kirby, W.M. McGregor, J. Chem. Soc. Perkin I 3175 (1990).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3