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3-benzyl-7-(isopentyloxy)-4-methyl-2H-chromen-2-one

View entire compound with spectra: 2 NMR

3-benzyl-7-(isopentyloxy)-4-methyl-2H-chromen-2-one
SpectraBase Compound ID JqdOcVPN58x
InChI InChI=1S/C22H24O3/c1-15(2)11-12-24-18-9-10-19-16(3)20(22(23)25-21(19)14-18)13-17-7-5-4-6-8-17/h4-10,14-15H,11-13H2,1-3H3
InChIKey PJPYYIWJYZBZAN-UHFFFAOYSA-N
Mol Weight 336.43 g/mol
Molecular Formula C22H24O3
Exact Mass 336.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4BIkHUDYpah
Name 3-Benzyl-7-(isopentyloxy)-4-methyl-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.172544630 u
Formula C22H24O3
InChI InChI=1S/C22H24O3/c1-15(2)11-12-24-18-9-10-19-16(3)20(22(23)25-21(19)14-18)13-17-7-5-4-6-8-17/h4-10,14-15H,11-13H2,1-3H3
InChIKey PJPYYIWJYZBZAN-UHFFFAOYSA-N
Molecular Weight 336.431 g/mol
SMILES C=1(C(OC2=C(C1C)C=CC(OCCC(C)C)=C2)=O)CC=1C=CC=CC1