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2-[4,5-Dimethoxy-2-[3-(4-methylphenyl)prop-2-ynyl]phenyl]-1,3-dioxolane
SpectraBase Compound ID IruM29RQgm8
InChI InChI=1S/C21H22O4/c1-15-7-9-16(10-8-15)5-4-6-17-13-19(22-2)20(23-3)14-18(17)21-24-11-12-25-21/h7-10,13-14,21H,6,11-12H2,1-3H3
InChIKey NEZJBPVBIJSQEO-UHFFFAOYSA-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 HwW1vgUhwZD
Name 2-[4,5-Dimethoxy-2-[3-(4-methylphenyl)prop-2-ynyl]phenyl]-1,3-dioxolane
Comments Computed using HOSE algorithm
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Exact Mass 338.151809184 u
Formula C21H22O4
InChI InChI=1S/C21H22O4/c1-15-7-9-16(10-8-15)5-4-6-17-13-19(22-2)20(23-3)14-18(17)21-24-11-12-25-21/h7-10,13-14,21H,6,11-12H2,1-3H3
InChIKey NEZJBPVBIJSQEO-UHFFFAOYSA-N
Molecular Weight 338.403 g/mol
SMILES C1(=CC(OC)=C(C=C1CC#CC=1C=CC(=CC1)C)OC)C1OCCO1