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(3S,4R)-3-Benzyl-4-(4-methoxybenzoyl)tetrahydropyran-2-one
SpectraBase Compound ID GgjPUIWmUBA
InChI InChI=1S/C20H20O4/c1-23-16-9-7-15(8-10-16)19(21)17-11-12-24-20(22)18(17)13-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m1/s1
InChIKey XFXXEHMBMNQJRK-MSOLQXFVSA-N
Mol Weight 324.38 g/mol
Molecular Formula C20H20O4
Exact Mass 324.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuQoCNbBVeE
Name (3S,4R)-3-Benzyl-4-(4-methoxybenzoyl)tetrahydropyran-2-one
Alternate Name(s) (3S,4R)-3-benzyl-4-(4-methoxybenzoyl)tetrahydro-2H-pyran-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C20H20O4
InChI InChI=1S/C20H20O4/c1-23-16-9-7-15(8-10-16)19(21)17-11-12-24-20(22)18(17)13-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m1/s1
InChIKey XFXXEHMBMNQJRK-MSOLQXFVSA-N
Molecular Weight 324.376 g/mol
SMILES [C@]1([C@](C(c2ccc(cc2)OC)=O)(CCOC1=O)[H])(Cc1ccccc1)[H]
SPLASH splash10-000i-0900000000-6f1bbfb176a8a24065a3
Source of Spectrum F-52-10092-11
Wiley ID 797812