John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4RAUVjzk3uK SpectraBase Spectrum ID=10Sf5wi55kk

(accessed ).
(4R,5Z)-5-METHYL-7-(METHYLSULFONYL)-4-[(R)-1-PHENYLETHOXY]-HEPT-5-EN-2-ONE
SpectraBase Compound ID 4RAUVjzk3uK
InChI InChI=1S/C17H24O4S/c1-13(10-11-22(4,19)20)17(12-14(2)18)21-15(3)16-8-6-5-7-9-16/h5-10,15,17H,11-12H2,1-4H3/b13-10-/t15-,17-/m1/s1
InChIKey WNEKSZPDBFJFQX-UTZFPLNVSA-N
Mol Weight 324.44 g/mol
Molecular Formula C17H24O4S
Exact Mass 324.139531 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10Sf5wi55kk
Name (4R,5Z)-5-METHYL-7-(METHYLSULFONYL)-4-[(R)-1-PHENYLETHOXY]-HEPT-5-EN-2-ONE
Compound Number (1'R,4R)-70
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H24O4S
InChI InChI=1S/C17H24O4S/c1-13(10-11-22(4,19)20)17(12-14(2)18)21-15(3)16-8-6-5-7-9-16/h5-10,15,17H,11-12H2,1-4H3/b13-10-/t15-,17-/m1/s1
InChIKey WNEKSZPDBFJFQX-UTZFPLNVSA-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 324.435 g/mol
Solvent CDCl3
Source File Reference UWLU27137
SpectraBase Batch ID 82OD3F2cXmM