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4-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol, ac derivative
SpectraBase Compound ID IhhQlvwcwM4
InChI InChI=1S/C22H26O5/c1-14(9-17-6-8-20(27-16(3)23)21(11-17)24-4)15(2)10-18-5-7-19-22(12-18)26-13-25-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3
InChIKey JMNNXNUUPTZNLC-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C22H26O5
Exact Mass 370.178024 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kRInnjABfS
Name 4-[4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol, ac derivative
Comments Computed using HOSE algorithm
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Exact Mass 370.178023932 u
Formula C22H26O5
InChI InChI=1S/C22H26O5/c1-14(9-17-6-8-20(27-16(3)23)21(11-17)24-4)15(2)10-18-5-7-19-22(12-18)26-13-25-19/h5-8,11-12,14-15H,9-10,13H2,1-4H3
InChIKey JMNNXNUUPTZNLC-UHFFFAOYSA-N
Molecular Weight 370.445 g/mol
SMILES C1(=C(C=C(C=C1)CC(C(CC1=CC=C2OCOC2=C1)C)C)OC)OC(=O)C