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7-[(7-Methoxy-3,7-dimethyl-2,5-octadienyl)oxy]-2H-1-benzopyran-2-one
SpectraBase Compound ID JsUSpgXl3hD
InChI InChI=1S/C20H24O4/c1-15(6-5-12-20(2,3)22-4)11-13-23-17-9-7-16-8-10-19(21)24-18(16)14-17/h5,7-12,14H,6,13H2,1-4H3/b12-5+,15-11+
InChIKey HSQQMAPGYSIBOS-SZCVXIABSA-N
Mol Weight 328.41 g/mol
Molecular Formula C20H24O4
Exact Mass 328.167459 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EjywcVOiPud
Name 7-[(7-Methoxy-3,7-dimethyl-2,5-octadienyl)oxy]-2H-1-benzopyran-2-one
Comments Computed using HOSE algorithm
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Exact Mass 328.167459249 u
Formula C20H24O4
InChI InChI=1S/C20H24O4/c1-15(6-5-12-20(2,3)22-4)11-13-23-17-9-7-16-8-10-19(21)24-18(16)14-17/h5,7-12,14H,6,13H2,1-4H3/b12-5+,15-11+
InChIKey HSQQMAPGYSIBOS-SZCVXIABSA-N
Molecular Weight 328.408 g/mol
SMILES C1=C(C=C2C(=C1)C=CC(O2)=O)OC\C=C\(C\C=C\C(C)(C)OC)C