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Diethyl 2-(4-chlorophenyl)-5-(phenylethynyl)-5-propyloxolane-3,3-dicarboxylate
SpectraBase Compound ID HQvx6Z5mSER
InChI InChI=1S/C27H29ClO5/c1-4-17-26(18-16-20-10-8-7-9-11-20)19-27(24(29)31-5-2,25(30)32-6-3)23(33-26)21-12-14-22(28)15-13-21/h7-15,23H,4-6,17,19H2,1-3H3/t23-,26-/m1/s1
InChIKey DASIMVHAILAQKJ-ZEQKJWHPSA-N
Mol Weight 468.98 g/mol
Molecular Formula C27H29ClO5
Exact Mass 468.170352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6R6UpVD3Dwi
Name Diethyl 2-(4-chlorophenyl)-5-(phenylethynyl)-5-propyloxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 2-(4-chlorophenyl)-5-(phenylethynyl)-5-propyldihydrofuran-3,3(2H)-dicarboxylate (2R,5S)-2-(4-chlorophenyl)-5-(2-phenylethynyl)-5-propyloxolane-3,3-dicarboxylic acid diethyl ester Diethyl (2R,5S)-2-(4-chlorophenyl)-5-(2-phenylethynyl)-5-propyloxolane-3,3-dicarboxylate Diethyl (2R,5S)-2-(4-chlorophenyl)-5-(2-phenylethynyl)-5-propyl-tetrahydrofuran-3,3-dicarboxylate Diethyl (2R,5S)-2-(4-chlorophenyl)-5-(2-phenylethynyl)-5-propyl-oxolane-3,3-dicarboxylate
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Formula C27H29ClO5
InChI InChI=1S/C27H29ClO5/c1-4-17-26(18-16-20-10-8-7-9-11-20)19-27(24(29)31-5-2,25(30)32-6-3)23(33-26)21-12-14-22(28)15-13-21/h7-15,23H,4-6,17,19H2,1-3H3/t23-,26-/m1/s1
InChIKey DASIMVHAILAQKJ-ZEQKJWHPSA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 468.977 g/mol
SMILES C1(C(OCC)=O)([C@](O[C@](C1)(CCC)C#Cc1ccccc1)(c1ccc(cc1)Cl)[H])C(OCC)=O
SPLASH splash10-0002-0490000000-9b53219315a4820fc981
Source of Spectrum A1-15-2262/SMS9-trans_3h
Wiley ID 1748610