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(R)-Dimethyl 2-[1-phenyl-2-(furan-2-yl)-2-oxoethyl]malonate
SpectraBase Compound ID JsCQRM82YLX
InChI InChI=1S/C17H16O6/c1-21-16(19)14(17(20)22-2)13(11-7-4-3-5-8-11)15(18)12-9-6-10-23-12/h3-10,13-14H,1-2H3/t13-/m0/s1
InChIKey WUYLXKFQOSPIGW-ZDUSSCGKSA-N
Mol Weight 316.31 g/mol
Molecular Formula C17H16O6
Exact Mass 316.094688 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ShBqufse6O
Name (R)-Dimethyl 2-[1-phenyl-2-(furan-2-yl)-2-oxoethyl]malonate
Comments Computed using HOSE algorithm
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Exact Mass 316.094688229 u
Formula C17H16O6
InChI InChI=1S/C17H16O6/c1-21-16(19)14(17(20)22-2)13(11-7-4-3-5-8-11)15(18)12-9-6-10-23-12/h3-10,13-14H,1-2H3/t13-/m0/s1
InChIKey WUYLXKFQOSPIGW-ZDUSSCGKSA-N
Molecular Weight 316.309 g/mol
SMILES C([C@@](C(C=1OC=CC1)=O)(C=1C=CC=CC1)[H])(C(=O)OC)C(=O)OC