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3-butyl-7-[(4-chlorobenzyl)oxy]-4,8-dimethyl-2H-chromen-2-one
SpectraBase Compound ID aboBWyW9PZ
InChI InChI=1S/C22H23ClO3/c1-4-5-6-19-14(2)18-11-12-20(15(3)21(18)26-22(19)24)25-13-16-7-9-17(23)10-8-16/h7-12H,4-6,13H2,1-3H3
InChIKey HSXBFWXWIMTOKA-UHFFFAOYSA-N
Mol Weight 370.88 g/mol
Molecular Formula C22H23ClO3
Exact Mass 370.133572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GogVi89yBNU
Name 3-Butyl-7-[(4-chlorobenzyl)oxy]-4,8-dimethyl-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 370.133572298 u
Formula C22H23ClO3
InChI InChI=1S/C22H23ClO3/c1-4-5-6-19-14(2)18-11-12-20(15(3)21(18)26-22(19)24)25-13-16-7-9-17(23)10-8-16/h7-12H,4-6,13H2,1-3H3
InChIKey HSXBFWXWIMTOKA-UHFFFAOYSA-N
Molecular Weight 370.876 g/mol
SMILES C=12OC(=O)C(=C(C2=CC=C(C1C)OCC1=CC=C(C=C1)Cl)C)CCCC