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13,13A-Didehydro-13-hydroxyberbin-8-one, acetate (ester)

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

13,13A-Didehydro-13-hydroxyberbin-8-one, acetate (ester)
SpectraBase Compound ID 6L2TkDgtgdH
InChI InChI=1S/C19H15NO3/c1-12(21)23-18-15-8-4-5-9-16(15)19(22)20-11-10-13-6-2-3-7-14(13)17(18)20/h2-9H,10-11H2,1H3
InChIKey LBLGAXFGSDCMMY-UHFFFAOYSA-N
Mol Weight 305.33 g/mol
Molecular Formula C19H15NO3
Exact Mass 305.105193 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID C3Eiid29GWp
Name 13,13A-Didehydro-13-hydroxyberbin-8-one, acetate (ester)
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 305.105193344 u
Formula C19H15NO3
InChI InChI=1S/C19H15NO3/c1-12(21)23-18-15-8-4-5-9-16(15)19(22)20-11-10-13-6-2-3-7-14(13)17(18)20/h2-9H,10-11H2,1H3
InChIKey LBLGAXFGSDCMMY-UHFFFAOYSA-N
SMILES C=12C=CC=CC1C(N1CCC=3C=CC=CC3C1=C2OC(=O)C)=O
Spectrum/Structure Validation Score (Raman) 0.916388