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1-(1,4-Dihydroxy-2-naphthyl)-1-propanone
SpectraBase Compound ID AoYhLyaXp4a
InChI InChI=1S/C13H12O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h3-7,15-16H,2H2,1H3
InChIKey XCIYZSPRKSPTEW-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9ytdRsnVvp1
Name 1-(1,4-Dihydroxy-2-naphthyl)-1-propanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 216.078644243 u
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-2-11(14)10-7-12(15)8-5-3-4-6-9(8)13(10)16/h3-7,15-16H,2H2,1H3
InChIKey XCIYZSPRKSPTEW-UHFFFAOYSA-N
Molecular Weight 216.236 g/mol
SMILES C=1(C(=C2C=CC=CC2=C(C1)O)O)C(=O)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951036