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Diethyl 5-(hex-1-ynyl)-2-(4-methoxyphenyl)-5-propyloxolane-3,3-dicarboxylate
SpectraBase Compound ID f98ZKjeCCJ
InChI InChI=1S/C26H36O6/c1-6-10-11-12-18-25(17-7-2)19-26(23(27)30-8-3,24(28)31-9-4)22(32-25)20-13-15-21(29-5)16-14-20/h13-16,22H,6-11,17,19H2,1-5H3/t22-,25-/m1/s1
InChIKey FDZISXSVYKKTPX-RCZVLFRGSA-N
Mol Weight 444.6 g/mol
Molecular Formula C26H36O6
Exact Mass 444.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2n4JClQAEK
Name Diethyl 5-(hex-1-ynyl)-2-(4-methoxyphenyl)-5-propyloxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 5-(hex-1-yn-1-yl)-2-(4-methoxyphenyl)-5-propyldihydrofuran-3,3(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O6
InChI InChI=1S/C26H36O6/c1-6-10-11-12-18-25(17-7-2)19-26(23(27)30-8-3,24(28)31-9-4)22(32-25)20-13-15-21(29-5)16-14-20/h13-16,22H,6-11,17,19H2,1-5H3/t22-,25-/m1/s1
InChIKey FDZISXSVYKKTPX-RCZVLFRGSA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 444.568 g/mol
SMILES C1([C@](O[C@@](C#CCCCC)(CCC)C1)(c1ccc(cc1)OC)[H])(C(OCC)=O)C(=O)OCC
SPLASH splash10-0btc-0389600000-7be7e4ff12417159760a
Source of Spectrum A1-15-2262/SMS13-trans_3n
Wiley ID 1748613