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2H-1-Benzopyran-2-one, 3,4-dimethyl-7-(3-phenylpropoxy)-

View entire compound with spectra: 1 NMR, 2 FTIR, and 1 Raman

2H-1-Benzopyran-2-one, 3,4-dimethyl-7-(3-phenylpropoxy)-
SpectraBase Compound ID IsdnGN0vWNr
InChI InChI=1S/C20H20O3/c1-14-15(2)20(21)23-19-13-17(10-11-18(14)19)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKey PLUWKRQJBFDIGS-UHFFFAOYSA-N
Mol Weight 308.38 g/mol
Molecular Formula C20H20O3
Exact Mass 308.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BlXxfyZUVOF
Name 2H-1-Benzopyran-2-one, 3,4-dimethyl-7-(3-phenylpropoxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.141244501 u
Formula C20H20O3
InChI InChI=1S/C20H20O3/c1-14-15(2)20(21)23-19-13-17(10-11-18(14)19)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3
InChIKey PLUWKRQJBFDIGS-UHFFFAOYSA-N
Molecular Weight 308.377 g/mol
SMILES C1=C2C(=CC(=C1)OCCCC=1C=CC=CC1)OC(C(=C2C)C)=O