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Benzyl 3-(4-benzyloxy-3,5-dimethoxyphenyl)-2-methylpropanoate
SpectraBase Compound ID AILPfBQ4jUN
InChI InChI=1S/C26H28O5/c1-19(26(27)31-18-21-12-8-5-9-13-21)14-22-15-23(28-2)25(24(16-22)29-3)30-17-20-10-6-4-7-11-20/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey SVKCZFQYKQDTTD-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C26H28O5
Exact Mass 420.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjkjojEj8Nt
Name Benzyl 3-(4-benzyloxy-3,5-dimethoxyphenyl)-2-methylpropanoate
Comments Computed using HOSE algorithm
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Exact Mass 420.193673997 u
Formula C26H28O5
InChI InChI=1S/C26H28O5/c1-19(26(27)31-18-21-12-8-5-9-13-21)14-22-15-23(28-2)25(24(16-22)29-3)30-17-20-10-6-4-7-11-20/h4-13,15-16,19H,14,17-18H2,1-3H3
InChIKey SVKCZFQYKQDTTD-UHFFFAOYSA-N
Molecular Weight 420.505 g/mol
SMILES C=1(C(=CC(=CC1OC)CC(C(OCC=1C=CC=CC1)=O)C)OC)OCC=1C=CC=CC1