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trans-4-(3-Carbethoxy-2-butenyl)-5-hexyltetrahydrofuran-2-one
SpectraBase Compound ID F8vw1vZBbhX
InChI InChI=1S/C17H28O4/c1-4-6-7-8-9-15-14(12-16(18)21-15)11-10-13(3)17(19)20-5-2/h10,14-15H,4-9,11-12H2,1-3H3/b13-10+/t14-,15+/m1/s1
InChIKey MEJUUOIXCSWWPY-XGWPRKDGSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnroSi2Xhdz
Name trans-4-(3-Carbethoxy-2-butenyl)-5-hexyltetrahydrofuran-2-one
Alternate Name(s) 4-((2R,3S)-2-Hexyl-5-oxo-tetrahydro-furan-3-yl)-2-methylene-butyric acid ethyl ester trans-4-(3-Carbethoxy-3-butenyl)-5-hexyltetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-4-6-7-8-9-15-14(12-16(18)21-15)11-10-13(3)17(19)20-5-2/h10,14-15H,4-9,11-12H2,1-3H3/b13-10+/t14-,15+/m1/s1
InChIKey MEJUUOIXCSWWPY-XGWPRKDGSA-N
Molecular Weight 296.407 g/mol
SMILES C1(O[C@]([C@@](C1)(C\C=C\(C(=O)OCC)C)[H])(CCCCCC)[H])=O
SPLASH splash10-0016-9410000000-54cc8cdd780d929de096
Source of Spectrum J-61-5752-18e
Wiley ID 1300186