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(1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane
SpectraBase Compound ID DCrBClsDGit
InChI InChI=1S/C17H26O4/c1-12(6-5-9-18)15-10-17(3,4)16(15)8-7-14(20)11-21-13(2)19/h9,15-16H,1,5-8,10-11H2,2-4H3/t15-,16-/m1/s1
InChIKey ACMYLJHLPCISOB-HZPDHXFCSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5F5HRIbyxVa
Name (1R,2S)-1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane
Alternate Name(s) 1-[(4-Acetoxy-3-oxo)butyl]-4,4-dimethyl-2-(4-formylbut-1-en-2-yl)cyclobutane 4-{(1R,4S)-2,2-dimethyl-4-[1-(3-oxopropyl)vinyl]cyclobutyl}-2-oxobutyl acetate
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Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-12(6-5-9-18)15-10-17(3,4)16(15)8-7-14(20)11-21-13(2)19/h9,15-16H,1,5-8,10-11H2,2-4H3/t15-,16-/m1/s1
InChIKey ACMYLJHLPCISOB-HZPDHXFCSA-N
Molecular Weight 294.391 g/mol
SMILES [C@@]1([C@@](CCC(=O)COC(=O)C)(C(C1)(C)C)[H])(C(=C)CCC=O)[H]
SPLASH splash10-0006-9600000000-5f966df2d5f84aaa7617
Source of Spectrum F-51-3820-13
Wiley ID 791650