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(+/-)-(E)-3-[(E)-1-PHENYL-2-(S(S))-(PARA-TOLYLSULFINYL)-HEPT-2-EN-1-(R)-OXY]-METHYL-ACRYLATE
SpectraBase Compound ID KagPhqkxRHR
InChI InChI=1S/C24H28O4S/c1-4-5-7-12-22(29(26)21-15-13-19(2)14-16-21)24(20-10-8-6-9-11-20)28-18-17-23(25)27-3/h6,8-18,24H,4-5,7H2,1-3H3/b18-17+,22-12+/t24-,29?/m1/s1
InChIKey NHTBZWLTQAHRMF-LXJKMHQDSA-N
Mol Weight 412.54 g/mol
Molecular Formula C24H28O4S
Exact Mass 412.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFf2t2Kmih3
Name Methyl 3-[(1R,Ss)-2(E)-1-phenyl-2'-(p-tolylsulfinyl)hept-2'-en-1'-oxy]acrylate
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Formula C24H28O4S
InChI InChI=1S/C24H28O4S/c1-4-5-7-12-22(29(26)21-15-13-19(2)14-16-21)24(20-10-8-6-9-11-20)28-18-17-23(25)27-3/h6,8-18,24H,4-5,7H2,1-3H3/b18-17+,22-12+/t24-,29?/m1/s1
InChIKey NHTBZWLTQAHRMF-LXJKMHQDSA-N
Molecular Weight 412.544 g/mol
SMILES c1(S(\C([C@@](c2ccccc2)(O\C=C\C(=O)OC)[H])=C/CCCC)=O)ccc(cc1)C
SPLASH splash10-002r-5900000000-44c93936d6839ffacae7
Source of Spectrum QE-15-705-22a
Wiley ID 1692662