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Diethyl 5-methyl-2-((E)-2-phenylethenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
SpectraBase Compound ID 8aTb41NTVFM
InChI InChI=1S/C27H28O5/c1-4-30-24(28)27(25(29)31-5-2)20-26(3,19-18-22-14-10-7-11-15-22)32-23(27)17-16-21-12-8-6-9-13-21/h6-17,23H,4-5,20H2,1-3H3/b17-16+/t23-,26-/m1/s1
InChIKey JLSIMUYOAHFSGW-YZZZGULYSA-N
Mol Weight 432.52 g/mol
Molecular Formula C27H28O5
Exact Mass 432.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HmR8E4Ugu4
Name Diethyl 5-methyl-2-((E)-2-phenylethenyl)-5-(phenylethynyl)oxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 5-methyl-5-(phenylethynyl)-2-((E)-styryl)dihydrofuran-3,3(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28O5
InChI InChI=1S/C27H28O5/c1-4-30-24(28)27(25(29)31-5-2)20-26(3,19-18-22-14-10-7-11-15-22)32-23(27)17-16-21-12-8-6-9-13-21/h6-17,23H,4-5,20H2,1-3H3/b17-16+/t23-,26-/m1/s1
InChIKey JLSIMUYOAHFSGW-YZZZGULYSA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 432.516 g/mol
SMILES C1(C(OCC)=O)([C@](O[C@](C1)(C)C#Cc1ccccc1)(\C=C\c1ccccc1)[H])C(OCC)=O
SPLASH splash10-0mi6-0981000000-eac2e90b93267d950b32
Source of Spectrum A1-15-2262/SMS7-trans_3c
Wiley ID 1748605