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acetic acid, [[(2Z)-2,3-dihydro-2-[(3-methylphenyl)methylene]-3-oxobenzofuranyl]oxy]-, 1,1-dimethylethyl ester
SpectraBase Compound ID Bm3RFmqClZJ
InChI InChI=1S/C22H22O5/c1-14-6-5-7-15(10-14)11-19-21(24)17-9-8-16(12-18(17)26-19)25-13-20(23)27-22(2,3)4/h5-12H,13H2,1-4H3/b19-11-
InChIKey ARCIBVBWZSNFAK-ODLFYWEKSA-N
Mol Weight 366.41 g/mol
Molecular Formula C22H22O5
Exact Mass 366.146724 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXjkO8JmFmM
Name Acetic acid, [[(2Z)-2,3-dihydro-2-[(3-methylphenyl)methylene]-3-oxobenzofuranyl]oxy]-, 1,1-dimethylethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.146723803 u
Formula C22H22O5
InChI InChI=1S/C22H22O5/c1-14-6-5-7-15(10-14)11-19-21(24)17-9-8-16(12-18(17)26-19)25-13-20(23)27-22(2,3)4/h5-12H,13H2,1-4H3/b19-11-
InChIKey ARCIBVBWZSNFAK-ODLFYWEKSA-N
Molecular Weight 366.413 g/mol
SMILES C1(\C(OC2=CC(=CC=C12)OCC(OC(C)(C)C)=O)=C\C1=CC(C)=CC=C1)=O