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1,3-Benzodioxole, 6-[2,3-dihydro-5-methoxy-3-methyl-6-(2-propenyloxy)-2-benzofuranyl]-4-methoxy-, (2S-trans)-
SpectraBase Compound ID 2XWiAirOGGU
InChI InChI=1S/C21H22O6/c1-5-6-24-17-10-15-14(9-16(17)22-3)12(2)20(27-15)13-7-18(23-4)21-19(8-13)25-11-26-21/h5,7-10,12,20H,1,6,11H2,2-4H3/t12-,20-/m0/s1
InChIKey YMSMXICTYNQJKX-YUNKPMOVSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6rOblHGVSzN
Name 1,3-Benzodioxole, 6-[2,3-dihydro-5-methoxy-3-methyl-6-(2-propenyloxy)-2-benzofuranyl]-4-methoxy-, (2S-trans)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.141638422 u
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-5-6-24-17-10-15-14(9-16(17)22-3)12(2)20(27-15)13-7-18(23-4)21-19(8-13)25-11-26-21/h5,7-10,12,20H,1,6,11H2,2-4H3/t12-,20-/m0/s1
InChIKey YMSMXICTYNQJKX-YUNKPMOVSA-N
Molecular Weight 370.401 g/mol
SMILES C=12O[C@@]([C@](C2=CC(=C(C1)OCC=C)OC)(C)[H])(C=1C=C2OCOC2=C(C1)OC)[H]