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3,6-BIS-(1-ADAMANTYL-METHYLIDENE)-2-OXA-5,7-DITHIABICYCLO-[2.2.1]-HEPTANE-5-OXIDE
SpectraBase Compound ID B9KHyogVz4A
InChI InChI=1S/C26H34O2S2/c27-30-22(14-26-10-18-4-19(11-26)6-20(5-18)12-26)23-28-21(24(30)29-23)13-25-7-15-1-16(8-25)3-17(2-15)9-25/h13-20,23-24H,1-12H2/b21-13-,22-14+/t15?,16?,17?,18-,19+,20-,23-,24+,25?,26-,30?/m1/s1
InChIKey CBNBLFFGSCLFOJ-AJZNYORASA-N
Mol Weight 442.7 g/mol
Molecular Formula C26H34O2S2
Exact Mass 442.200023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HLHNgNVtWPb
Name 3,6-BIS-(1-ADAMANTYL-METHYLIDENE)-2-OXA-5,7-DITHIABICYCLO-[2.2.1]-HEPTANE-5-OXIDE
Compound Number 14G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34O2S2
InChI InChI=1S/C26H34O2S2/c27-30-22(14-26-10-18-4-19(11-26)6-20(5-18)12-26)23-28-21(24(30)29-23)13-25-7-15-1-16(8-25)3-17(2-15)9-25/h13-20,23-24H,1-12H2/b21-13-,22-14+/t15?,16?,17?,18-,19+,20-,23-,24+,25?,26-,30?/m1/s1
InChIKey CBNBLFFGSCLFOJ-AJZNYORASA-N
Literature Reference Author S.BRAVERMAN,T.PECHENICK,H.E.GOTTLIEB,M.SPRECHER
Literature Reference Citation J.AM.CHEM.SOC.,125,14290(2003)
Literature Reference DOI 10.1021/ja036962y
Molecular Weight 442.675 g/mol
Sample ID 35459
Solvent CDCl3