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Anisindione

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, and 3 MS (GC)

Anisindione
SpectraBase Compound ID BcN44SRAyfN
InChI InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKey XRCFXMGQEVUZFC-UHFFFAOYSA-N
Mol Weight 252.27 g/mol
Molecular Formula C16H12O3
Exact Mass 252.078644 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID GFxe3FGpfSt
Name Anisindione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.078644243 u
Formula C16H12O3
InChI InChI=1S/C16H12O3/c1-19-11-8-6-10(7-9-11)14-15(17)12-4-2-3-5-13(12)16(14)18/h2-9,14H,1H3
InChIKey XRCFXMGQEVUZFC-UHFFFAOYSA-N
Molecular Weight 252.269 g/mol
Nominal Mass 252 u
SMILES C=12C=CC=CC1C(C(C2=O)C=1C=CC(=CC1)OC)=O
Spectrum/Structure Validation Score (Raman) 0.97861