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 |