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trans-4-(3-Carbethoxy-2-butenyl)-5-isopropyltetrahydrofuran-2-one
SpectraBase Compound ID LqFeYNqC4Nn
InChI InChI=1S/C14H22O4/c1-5-17-14(16)10(4)6-7-11-8-12(15)18-13(11)9(2)3/h9,11,13H,4-8H2,1-3H3/t11-,13+/m0/s1
InChIKey JQHNLRJRYGGNKC-WCQYABFASA-N
Mol Weight 254.33 g/mol
Molecular Formula C14H22O4
Exact Mass 254.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24bj4ejUkbv
Name trans-4-(3-Carbethoxy-2-butenyl)-5-isopropyltetrahydrofuran-2-one
Alternate Name(s) Ethyl (2E)-4-[(2R,3S)-2-isopropyl-5-oxotetrahydro-3-furanyl]-2-methyl-2-butenoate trans-4-(3-Carbethoxy-3-butenyl)-5-isopropyl-tetrahydrofuran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O4
InChI InChI=1S/C14H22O4/c1-5-17-14(16)10(4)6-7-11-8-12(15)18-13(11)9(2)3/h9,11,13H,4-8H2,1-3H3/t11-,13+/m0/s1
InChIKey JQHNLRJRYGGNKC-WCQYABFASA-N
Molecular Weight 254.326 g/mol
SMILES C1(O[C@@]([C@](C1)(CCC(C(=O)OCC)=C)[H])(C(C)C)[H])=O
SPLASH splash10-02u9-2920000000-48cf96d8d7577e24657a
Source of Spectrum J-61-5752-18
Wiley ID 1257748