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(S)-4-Hydroxy-3-[1-(3-methylphenyl)-3-oxobutyl]-chromen-2-one
SpectraBase Compound ID MLwbUigjoc
InChI InChI=1S/C20H18O4/c1-12-6-5-7-14(10-12)16(11-13(2)21)18-19(22)15-8-3-4-9-17(15)24-20(18)23/h3-10,16,22H,11H2,1-2H3/t16-/m0/s1
InChIKey BXCAQEQFRFBWJZ-INIZCTEOSA-N
Mol Weight 322.36 g/mol
Molecular Formula C20H18O4
Exact Mass 322.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kDyBJqzkwf
Name (S)-4-Hydroxy-3-[1-(3-methylphenyl)-3-oxobutyl]-chromen-2-one
Alternate Name(s) (S)-4-hydroxy-3-(3-oxo-1-(m-tolyl)butyl)-2H-chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H18O4
InChI InChI=1S/C20H18O4/c1-12-6-5-7-14(10-12)16(11-13(2)21)18-19(22)15-8-3-4-9-17(15)24-20(18)23/h3-10,16,22H,11H2,1-2H3/t16-/m0/s1
InChIKey BXCAQEQFRFBWJZ-INIZCTEOSA-N
Molecular Weight 322.360 g/mol
SMILES OC1=C(C(Oc2ccccc12)=O)[C@](c1cc(C)ccc1)(CC(=O)C)[H]
SPLASH splash10-00b9-0393000000-2917f17debc960246888
Source of Spectrum QC-25-818-3j
Wiley ID 1742139