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4-[(2R,3R)-2,3-Dihydro-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2-methoxyphenol, ac derivative

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4-[(2R,3R)-2,3-Dihydro-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2-methoxyphenol, ac derivative
SpectraBase Compound ID GeOPCzZAoUk
InChI InChI=1S/C21H22O4/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/h5-13,21H,1-4H3/b6-5+/t13-,21-/m1/s1
InChIKey NDPKGTFRIRZQMC-NPOVVCKISA-N
Mol Weight 338.4 g/mol
Molecular Formula C21H22O4
Exact Mass 338.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7tsRIUXDzwc
Name 4-[(2R,3R)-2,3-Dihydro-3-methyl-5-(1E)-1-propen-1-yl-2-benzofuranyl]-2-methoxyphenol, ac derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/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/h5-13,21H,1-4H3/b6-5+/t13-,21-/m1/s1
InChIKey NDPKGTFRIRZQMC-NPOVVCKISA-N
Molecular Weight 338.403 g/mol
SMILES CC(=O)OC1=C(OC)C=C([C@]2([C@](C)(C=3C(=CC=C(\C=C\C)C3)O2)[H])[H])C=C1