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(+/-)-(3RS,4Z,6RS)-3-HYDROXY-4-METHYL-6-(METHYLSULFONYL)-1-PHENYLHEPT-4-EN-1-ONE
SpectraBase Compound ID 1fNDVHkckMB
InChI InChI=1S/C15H20O4S/c1-11(9-12(2)20(3,18)19)14(16)10-15(17)13-7-5-4-6-8-13/h4-9,12,14,16H,10H2,1-3H3/b11-9-/t12-,14-/m1/s1
InChIKey VXKLYYLXKQOMRR-SRHJZDPESA-N
Mol Weight 296.38 g/mol
Molecular Formula C15H20O4S
Exact Mass 296.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2oytMsA3xlt
Name (+/-)-(3RS,4Z,6RS)-3-HYDROXY-4-METHYL-6-(METHYLSULFONYL)-1-PHENYLHEPT-4-EN-1-ONE
Compound Number 101
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H20O4S
InChI InChI=1S/C15H20O4S/c1-11(9-12(2)20(3,18)19)14(16)10-15(17)13-7-5-4-6-8-13/h4-9,12,14,16H,10H2,1-3H3/b11-9-/t12-,14-/m1/s1
InChIKey VXKLYYLXKQOMRR-SRHJZDPESA-N
Literature Reference Author V.NARKEVITCH,S.MEGEVAND,K.SCHENK,P.VOGEL
Literature Reference Citation J.ORG.CHEM.,66,5080(2001)
Literature Reference DOI 10.1021/jo0101712
Molecular Weight 296.381 g/mol
Solvent CDCl3
Source File Reference UWLU27161