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Diethyl 5-methyl-2-pentyl-5-(phenylethynyl)oxolane-3,3-dicarboxylate
SpectraBase Compound ID LkZEhJelT1v
InChI InChI=1S/C24H32O5/c1-5-8-10-15-20-24(21(25)27-6-2,22(26)28-7-3)18-23(4,29-20)17-16-19-13-11-9-12-14-19/h9,11-14,20H,5-8,10,15,18H2,1-4H3/t20-,23-/m1/s1
InChIKey SKCDQBAWDMNMME-NFBKMPQASA-N
Mol Weight 400.5 g/mol
Molecular Formula C24H32O5
Exact Mass 400.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcY1Kl5IDDt
Name Diethyl 5-methyl-2-pentyl-5-(phenylethynyl)oxolane-3,3-dicarboxylate
Alternate Name(s) (2R,5S)-diethyl 5-methyl-2-pentyl-5-(phenylethynyl)dihydrofuran-3,3(2H)-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H32O5
InChI InChI=1S/C24H32O5/c1-5-8-10-15-20-24(21(25)27-6-2,22(26)28-7-3)18-23(4,29-20)17-16-19-13-11-9-12-14-19/h9,11-14,20H,5-8,10,15,18H2,1-4H3/t20-,23-/m1/s1
InChIKey SKCDQBAWDMNMME-NFBKMPQASA-N
Literature Reference DOI 10.1021/ol400809n
Molecular Weight 400.515 g/mol
SMILES C1(C[C@@](O[C@@]1(CCCCC)[H])(C)C#Cc1ccccc1)(C(OCC)=O)C(OCC)=O
SPLASH splash10-002f-0950000000-4e1cc25e9a61031537dc
Source of Spectrum A1-15-2262/SMS9-trans_3f
Wiley ID 1748608