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methyl [(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate
SpectraBase Compound ID 96CW9Dd1t47
InChI InChI=1S/C21H20O5/c1-13-16-9-10-18(25-12-19(22)24-3)14(2)20(16)26-21(23)17(13)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKey VKGRIIIADYXNHG-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C21H20O5
Exact Mass 352.131074 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8kd4fkAIzjO
Name Methyl [(3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.131073739 u
Formula C21H20O5
InChI InChI=1S/C21H20O5/c1-13-16-9-10-18(25-12-19(22)24-3)14(2)20(16)26-21(23)17(13)11-15-7-5-4-6-8-15/h4-10H,11-12H2,1-3H3
InChIKey VKGRIIIADYXNHG-UHFFFAOYSA-N
Molecular Weight 352.386 g/mol
SMILES C=12OC(=O)C(=C(C2=CC=C(C1C)OCC(=O)OC)C)CC=1C=CC=CC1