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(S)-4-Hydroxy-3-[1-(2-methoxyphenyl)-3-oxobutyl]-chromen-2-one

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

(S)-4-Hydroxy-3-[1-(2-methoxyphenyl)-3-oxobutyl]-chromen-2-one
SpectraBase Compound ID H8c7FthMzy
InChI InChI=1S/C20H18O5/c1-12(21)11-15(13-7-3-5-9-16(13)24-2)18-19(22)14-8-4-6-10-17(14)25-20(18)23/h3-10,15,22H,11H2,1-2H3/t15-/m0/s1
InChIKey NNTIDPXZQJCATN-HNNXBMFYSA-N
Mol Weight 338.36 g/mol
Molecular Formula C20H18O5
Exact Mass 338.115424 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBo4GdsBa1X
Name (S)-4-Hydroxy-3-[1-(2-methoxyphenyl)-3-oxobutyl]-chromen-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 338.115423675 u
Formula C20H18O5
InChI InChI=1S/C20H18O5/c1-12(21)11-15(13-7-3-5-9-16(13)24-2)18-19(22)14-8-4-6-10-17(14)25-20(18)23/h3-10,15,22H,11H2,1-2H3/t15-/m0/s1
InChIKey NNTIDPXZQJCATN-HNNXBMFYSA-N
Molecular Weight 338.359 g/mol
SMILES C1(=C(C2=CC=CC=C2OC1=O)O)[C@](C1=C(OC)C=CC=C1)(CC(=O)C)[H]