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Phenol, 2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-, acetate, (E)-
SpectraBase Compound ID CSPvl2Gs0e0
InChI InChI=1S/C21H20O4/c1-5-6-15-7-9-18-17(11-15)13(2)21(25-18)16-8-10-19(24-14(3)22)20(12-16)23-4/h5-12H,1-4H3/b6-5+
InChIKey SQHGDMJYNROBOW-AATRIKPKSA-N
Mol Weight 336.39 g/mol
Molecular Formula C21H20O4
Exact Mass 336.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 17ZLXh8nanU
Name Phenol, 2-methoxy-4-[3-methyl-5-(1-propenyl)-2-benzofuranyl]-, acetate, (E)-
Comments Computed using HOSE algorithm
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Exact Mass 336.136159120 u
Formula C21H20O4
InChI InChI=1S/C21H20O4/c1-5-6-15-7-9-18-17(11-15)13(2)21(25-18)16-8-10-19(24-14(3)22)20(12-16)23-4/h5-12H,1-4H3/b6-5+
InChIKey SQHGDMJYNROBOW-AATRIKPKSA-N
Molecular Weight 336.387 g/mol
SMILES C1(=CC=C2OC(=C(C2=C1)C)C1=CC(=C(C=C1)OC(C)=O)OC)\C=C\C