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1,2-Diacetoxy-3-[4-acetoxy-2-(2-acetoxy)propyl]phenoxypropane
SpectraBase Compound ID 7dR83qj3QXf
InChI InChI=1S/C20H26O9/c1-12(27-14(3)22)8-17-9-18(28-15(4)23)6-7-20(17)26-11-19(29-16(5)24)10-25-13(2)21/h6-7,9,12,19H,8,10-11H2,1-5H3
InChIKey XCGBFJXUDBUTAP-UHFFFAOYSA-N
Mol Weight 410.42 g/mol
Molecular Formula C20H26O9
Exact Mass 410.157682 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfHOLfW4GyH
Name 1,2-Diacetoxy-3-[4-acetoxy-2-(2-acetoxy)propyl]phenoxypropane
Comments Computed using HOSE algorithm
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Exact Mass 410.157682408 u
Formula C20H26O9
InChI InChI=1S/C20H26O9/c1-12(27-14(3)22)8-17-9-18(28-15(4)23)6-7-20(17)26-11-19(29-16(5)24)10-25-13(2)21/h6-7,9,12,19H,8,10-11H2,1-5H3
InChIKey XCGBFJXUDBUTAP-UHFFFAOYSA-N
Molecular Weight 410.419 g/mol
SMILES C1(OCC(COC(C)=O)OC(C)=O)=C(C=C(C=C1)OC(C)=O)CC(C)OC(C)=O