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(S)-3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(S)-3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one
SpectraBase Compound ID ESf9NFaJ5Wy
InChI InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m0/s1
InChIKey DEKWZWCFHUABHE-HNNXBMFYSA-N
Mol Weight 342.78 g/mol
Molecular Formula C19H15ClO4
Exact Mass 342.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4gKS4WxE98w
Name (S)-3-[1-(4-Chlorophenyl)-3-oxobutyl]-4-hydroxy-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 342.065886659 u
Formula C19H15ClO4
InChI InChI=1S/C19H15ClO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3/t15-/m0/s1
InChIKey DEKWZWCFHUABHE-HNNXBMFYSA-N
Molecular Weight 342.778 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)[C@](C=1C=CC(=CC1)Cl)(CC(=O)C)[H]