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(S)-2-[(E)-3-(4-Acetoxy-3,5-dimethoxy-phenyl)-acryloyloxy]-succinic acid di-tert-butyl ester
SpectraBase Compound ID Kk00L4RtyaB
InChI InChI=1S/C25H34O10/c1-15(26)32-22-17(30-8)12-16(13-18(22)31-9)10-11-20(27)33-19(23(29)35-25(5,6)7)14-21(28)34-24(2,3)4/h10-13,19H,14H2,1-9H3/b11-10+/t19-/m0/s1
InChIKey NXDAZUNZEOVEOG-VYENPZKTSA-N
Mol Weight 494.5 g/mol
Molecular Formula C25H34O10
Exact Mass 494.215197 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MEiw11M69j
Name (S)-2-[(E)-3-(4-Acetoxy-3,5-dimethoxy-phenyl)-acryloyloxy]-succinic acid di-tert-butyl ester
Comments Computed using HOSE algorithm
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Exact Mass 494.215197285 u
Formula C25H34O10
InChI InChI=1S/C25H34O10/c1-15(26)32-22-17(30-8)12-16(13-18(22)31-9)10-11-20(27)33-19(23(29)35-25(5,6)7)14-21(28)34-24(2,3)4/h10-13,19H,14H2,1-9H3/b11-10+/t19-/m0/s1
InChIKey NXDAZUNZEOVEOG-VYENPZKTSA-N
Molecular Weight 494.537 g/mol
SMILES C1(=C(C=C(\C=C\C(O[C@](C(OC(C)(C)C)=O)(CC(OC(C)(C)C)=O)[H])=O)C=C1OC)OC)OC(=O)C