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1-[2-[(2R)-2,3-bis(oxidanyl)propoxy]phenyl]-3-phenyl-propan-1-one
SpectraBase Compound ID Grb4XSDRjJR
InChI InChI=1S/C18H20O4/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,19-20H,10-13H2/t15-/m1/s1
InChIKey KRSTZDUMPGTWJG-OAHLLOKOSA-N
Mol Weight 300.35 g/mol
Molecular Formula C18H20O4
Exact Mass 300.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J3R374QaLdy
Name 1-[2-[(2R)-2,3-bis(Oxidanyl)propoxy]phenyl]-3-phenyl-propan-1-one
Comments Computed using HOSE algorithm
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Exact Mass 300.136159120 u
Formula C18H20O4
InChI InChI=1S/C18H20O4/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,19-20H,10-13H2/t15-/m1/s1
InChIKey KRSTZDUMPGTWJG-OAHLLOKOSA-N
Molecular Weight 300.354 g/mol
SMILES C=1(C(=O)CCC=2C=CC=CC2)C(OC[C@](O)(CO)[H])=CC=CC1