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2-(6-(4-Acetylphenyl)-2,2-dimethylbenzo[D][1,3]dioxol-5-yl)ethyl methyl carbonate
SpectraBase Compound ID 3iagLSNeeOw
InChI InChI=1S/C21H22O6/c1-13(22)14-5-7-15(8-6-14)17-12-19-18(26-21(2,3)27-19)11-16(17)9-10-25-20(23)24-4/h5-8,11-12H,9-10H2,1-4H3
InChIKey YFLJTVJYLXUDPO-UHFFFAOYSA-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 2IRSoyEVUzw
Name 2-(6-(4-Acetylphenyl)-2,2-dimethylbenzo[D][1,3]dioxol-5-yl)ethyl methyl carbonate
Comments Computed using HOSE algorithm
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Exact Mass 370.141638422 u
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-13(22)14-5-7-15(8-6-14)17-12-19-18(26-21(2,3)27-19)11-16(17)9-10-25-20(23)24-4/h5-8,11-12H,9-10H2,1-4H3
InChIKey YFLJTVJYLXUDPO-UHFFFAOYSA-N
Molecular Weight 370.401 g/mol
SMILES CC1(OC=2C(=CC(=C(CCOC(OC)=O)C2)C2=CC=C(C=C2)C(=O)C)O1)C