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(3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]-3-phenyl-propionic acid methyl ester
SpectraBase Compound ID 8MFFTK4XWMt
InChI InChI=1S/C15H18O4/c1-18-14(16)10-13(11-6-3-2-4-7-11)12-8-5-9-19-15(12)17/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m0/s1
InChIKey SBORSZQBTLPLHP-QWHCGFSZSA-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 BoGfTEdNPeA
Name (3S)-3-[(3S)-2-ketotetrahydropyran-3-yl]-3-phenyl-propionic acid methyl ester
Alternate Name(s) (3S)-3-[(3S)-2-oxo-3-oxanyl]-3-phenylpropanoic acid methyl ester Methyl (3S)-3-[(3S)-2-oxidanylideneoxan-3-yl]-3-phenyl-propanoate Methyl (3S)-3-[(3S)-2-oxooxan-3-yl]-3-phenylpropanoate Methyl (3S)-3-[(3S)-2-oxotetrahydropyran-3-yl]-3-phenyl-propanoate
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Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-18-14(16)10-13(11-6-3-2-4-7-11)12-8-5-9-19-15(12)17/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m0/s1
InChIKey SBORSZQBTLPLHP-QWHCGFSZSA-N
Molecular Weight 262.305 g/mol
SMILES C1([C@]([C@](CC(=O)OC)(c2ccccc2)[H])(CCCO1)[H])=O
SPLASH splash10-0ha0-1930000000-3fcb28892c923e5d814d
Source of Spectrum SO-0-241-5
Wiley ID 876212