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3-[(Benzoyloxy)methyl]-4-(methoxycarbonyl)methyl]-5-(acetylmethylene)-tetrahydrofuran
SpectraBase Compound ID 4aBydqeMXjw
InChI InChI=1S/C18H20O6/c1-12(19)8-16-15(9-17(20)22-2)14(10-23-16)11-24-18(21)13-6-4-3-5-7-13/h3-8,14-15H,9-11H2,1-2H3/b16-8-/t14-,15-/m1/s1
InChIKey HXMLPSGLMSHUAQ-JVPZLNSYSA-N
Mol Weight 332.35 g/mol
Molecular Formula C18H20O6
Exact Mass 332.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JVrIlXNuuQo
Name 3-[(Benzoyloxy)methyl]-4-(methoxycarbonyl)methyl]-5-(acetylmethylene)-tetrahydrofuran
Alternate Name(s) benzoic acid [(3R,4R,5Z)-4-(2-methoxy-2-oxoethyl)-5-(2-oxopropylidene)-3-oxolanyl]methyl ester [(3R,4R,5Z)-4-(2-methoxy-2-oxoethyl)-5-(2-oxopropylidene)oxolan-3-yl]methyl benzoate [(3R,4R,5Z)-5-acetonylidene-4-(2-methoxy-2-oxo-ethyl)tetrahydrofuran-3-yl]methyl benzoate [(3R,4R,5Z)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-oxidanylidenepropylidene)oxolan-3-yl]methyl benzoate
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Formula C18H20O6
InChI InChI=1S/C18H20O6/c1-12(19)8-16-15(9-17(20)22-2)14(10-23-16)11-24-18(21)13-6-4-3-5-7-13/h3-8,14-15H,9-11H2,1-2H3/b16-8-/t14-,15-/m1/s1
InChIKey HXMLPSGLMSHUAQ-JVPZLNSYSA-N
Molecular Weight 332.352 g/mol
SMILES C(\C=C\1[C@@]([C@@](COC(=O)c2ccccc2)(CO1)[H])(CC(=O)OC)[H])(=O)C
SPLASH splash10-0a4i-0920000000-0c5aeb5c6c906a1f0b7b
Source of Spectrum D1-2006-1054-1
Wiley ID 1614006