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Diethyl 5-((4-chlorophenyl)ethynyl)-2-(4-methoxyphenyl)-5-propyloxolane-3,3-dicarboxylate
SpectraBase Compound ID FVcPexv7p1Q
InChI InChI=1S/C28H31ClO6/c1-5-17-27(18-16-20-8-12-22(29)13-9-20)19-28(25(30)33-6-2,26(31)34-7-3)24(35-27)21-10-14-23(32-4)15-11-21/h8-15,24H,5-7,17,19H2,1-4H3/t24-,27-/m1/s1
InChIKey MRTVDGSCXURLIZ-SHQCIBLASA-N
Mol Weight 499.0 g/mol
Molecular Formula C28H31ClO6
Exact Mass 498.180916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LrxroaTdiII
Name Diethyl 5-((4-chlorophenyl)ethynyl)-2-(4-methoxyphenyl)-5-propyloxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 5-((4-chlorophenyl)ethynyl)-2-(4-methoxyphenyl)-5-propyldihydrofuran-3,3(2H)-dicarboxylate
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Formula C28H31ClO6
InChI InChI=1S/C28H31ClO6/c1-5-17-27(18-16-20-8-12-22(29)13-9-20)19-28(25(30)33-6-2,26(31)34-7-3)24(35-27)21-10-14-23(32-4)15-11-21/h8-15,24H,5-7,17,19H2,1-4H3/t24-,27-/m1/s1
InChIKey MRTVDGSCXURLIZ-SHQCIBLASA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 499.003 g/mol
SMILES C1(C(OCC)=O)([C@@](c2ccc(cc2)OC)(O[C@](C#Cc2ccc(cc2)Cl)(C1)CCC)[H])C(OCC)=O
SPLASH splash10-002r-0298000000-1446cb581cc499feb592
Source of Spectrum A1-15-2262/SMS12-trans_3l
Wiley ID 1748612