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anti-Methyl 2-(5-oxo-2-phenyltetrahydrofuran-2-yl)butanoate
SpectraBase Compound ID AXZIHnNzMt
InChI InChI=1S/C15H18O4/c1-3-12(14(17)18-2)15(10-9-13(16)19-15)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKey KTMVWNISQWIMKH-SWLSCSKDSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID El1FUrd1Ryj
Name anti-Methyl 2-(5-oxo-2-phenyltetrahydrofuran-2-yl)butanoate
Appearance Colorless oil
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-3-12(14(17)18-2)15(10-9-13(16)19-15)11-7-5-4-6-8-11/h4-8,12H,3,9-10H2,1-2H3/t12-,15+/m0/s1
InChIKey KTMVWNISQWIMKH-SWLSCSKDSA-N
Instrument Name HP 6890/5973
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.11.23
Molecular Weight 262.305 g/mol
Reported Formula C15H18O4
SMILES [C@@]([C@]1(c2ccccc2)CCC(=O)O1)(CC)(C(=O)OC)[H]
SPLASH splash10-03di-0900000000-b3961e5a127d68e5561b
Sample Comments major
Source of Spectrum BJO-11-SM4-3ca
Wiley ID 1854202