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3-benzyl-4-methyl-7-[(3-methyl-2-butenyl)oxy]-2H-chromen-2-one
SpectraBase Compound ID Dkzddt0VU40
InChI InChI=1S/C22H22O3/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/h4-11,14H,12-13H2,1-3H3
InChIKey TWQSLBYGQHBMJM-UHFFFAOYSA-N
Mol Weight 334.42 g/mol
Molecular Formula C22H22O3
Exact Mass 334.156895 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2DAXcrrzFCu
Name 3-Benzyl-4-methyl-7-[(3-methyl-2-butenyl)oxy]-2H-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.156894565 u
Formula C22H22O3
InChI InChI=1S/C22H22O3/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/h4-11,14H,12-13H2,1-3H3
InChIKey TWQSLBYGQHBMJM-UHFFFAOYSA-N
Molecular Weight 334.415 g/mol
SMILES C=1(C(OC=2C(C1C)=CC=C(OCC=C(C)C)C2)=O)CC1=CC=CC=C1