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4-(3,3-Dicarbethoxy-2-phenylpropyl)-2-ethoxy-5-hexyltetrahydrofuran
SpectraBase Compound ID GJCStVcezUb
InChI InChI=1S/C27H42O6/c1-5-9-10-14-17-23-21(19-24(33-23)30-6-2)18-22(20-15-12-11-13-16-20)25(26(28)31-7-3)27(29)32-8-4/h11-13,15-16,21-25H,5-10,14,17-19H2,1-4H3/t21-,22?,23+,24?/m1/s1
InChIKey RXGXANFUHAWMHI-IIQVAULWSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H42O6
Exact Mass 462.298139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5GaWWcTCgY
Name 4-(3,3-Dicarbethoxy-2-phenylpropyl)-2-ethoxy-5-hexyltetrahydrofuran
Alternate Name(s) 2-[2-((2S,3R)-5-Ethoxy-2-hexyl-tetrahydro-furan-3-yl)-1-phenyl-ethyl]-malonic acid diethyl ester Diethyl 2-[2-(5-ethoxy-2-hexyltetrahydro-3-furanyl)-1-phenylethyl]malonate 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-3-oxolanyl]-1-phenylethyl]propanedioic acid diethyl ester Diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyloxolan-3-yl]-1-phenylethyl]propanedioate Diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-tetrahydrofuran-3-yl]-1-phenyl-ethyl]propanedioate Diethyl 2-[2-[(2S,3R)-5-ethoxy-2-hexyl-oxolan-3-yl]-1-phenyl-ethyl]propanedioate
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Formula C27H42O6
InChI InChI=1S/C27H42O6/c1-5-9-10-14-17-23-21(19-24(33-23)30-6-2)18-22(20-15-12-11-13-16-20)25(26(28)31-7-3)27(29)32-8-4/h11-13,15-16,21-25H,5-10,14,17-19H2,1-4H3/t21-,22?,23+,24?/m1/s1
InChIKey RXGXANFUHAWMHI-IIQVAULWSA-N
Molecular Weight 462.627 g/mol
SMILES C(C(C[C@]1([C@@](OC(C1)OCC)(CCCCCC)[H])[H])c1ccccc1)(C(=O)OCC)C(=O)OCC
SPLASH splash10-0f6t-9410000000-af70d08d21d706b930a4
Source of Spectrum J-61-5751-17
Wiley ID 1391116