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12-Benzyl-9,10-dihydro-10,9-(epithiomethano)-anthracene-12-carboxylic acid, ethyl ester
SpectraBase Compound ID Kv4vL4ZLP0K
InChI InChI=1S/C25H22O2S/c1-2-27-24(26)25(16-17-10-4-3-5-11-17)22-18-12-6-8-14-20(18)23(28-25)21-15-9-7-13-19(21)22/h3-15,22-23H,2,16H2,1H3/t22-,23+,25-/m0/s1
InChIKey QYRXRAZQDALXET-ARNLJNQMSA-N
Mol Weight 386.51 g/mol
Molecular Formula C25H22O2S
Exact Mass 386.134051 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EGwdUArxY3w
Name 12-Benzyl-9,10-dihydro-10,9-(epithiomethano)-anthracene-12-carboxylic acid, ethyl ester
Comments 50.3 MHZ SPECTRUM
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Formula C25H22O2S
InChI InChI=1S/C25H22O2S/c1-2-27-24(26)25(16-17-10-4-3-5-11-17)22-18-12-6-8-14-20(18)23(28-25)21-15-9-7-13-19(21)22/h3-15,22-23H,2,16H2,1H3/t22-,23+,25-/m0/s1
InChIKey QYRXRAZQDALXET-ARNLJNQMSA-N
Instrument Name see comment
Literature Reference G.W. Kirby, M.P. Mahajan, M.S.Rahman, J. Chem. Soc. Perkin I 2033 (1991).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3