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(+/-)-(3-R/S,5-Z)-4-BENZYLOXY-7-(METHYLSULFONYL)-2,4-DIMETHYLOCT-5-EN-2-ONE;MIXTURE-OF-SYN-AND-ANTI-3C
SpectraBase Compound ID 1U5vdMWg2NA
InChI InChI=1S/2C18H26O4S/c2*1-13(11-14(2)23(5,20)21)18(15(3)16(4)19)22-12-17-9-7-6-8-10-17/h2*6-11,14-15,18H,12H2,1-5H3/b2*13-11-/t14-,15+,18-;14-,15-,18-/m00/s1
InChIKey SAKKRLDGEBUBPW-ROZMCFQOSA-N
Mol Weight 676.92 g/mol
Molecular Formula C36H52O8S2
Exact Mass 676.310361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZH7CgfTBqe
Name (+/-)-(3-R/S,5-Z)-4-BENZYLOXY-7-(METHYLSULFONYL)-2,4-DIMETHYLOCT-5-EN-2-ONE;MIXTURE-OF-SYN-AND-ANTI-3C
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H52O8S2
InChI InChI=1S/2C18H26O4S/c2*1-13(11-14(2)23(5,20)21)18(15(3)16(4)19)22-12-17-9-7-6-8-10-17/h2*6-11,14-15,18H,12H2,1-5H3/b2*13-11-/t14-,15+,18-;14-,15-,18-/m00/s1
InChIKey SAKKRLDGEBUBPW-ROZMCFQOSA-N
Literature Reference Author L.C.BOUCHEZ,C.CRAITA,P.VOGEL
Literature Reference Citation ORG.LETTERS,7,897(2005)
Literature Reference DOI 10.1021/ol050006z
Molecular Weight 676.924 g/mol
Sample ID 42448
Solvent CDCl3