| SpectraBase Spectrum ID |
HLnuqfXpoqO |
| Name |
1,4-Naphthalenedione, 2-acetyl-3-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.042258734 u |
| Formula |
C12H8O4 |
| InChI |
InChI=1S/C12H8O4/c1-6(13)9-10(14)7-4-2-3-5-8(7)11(15)12(9)16/h2-5,16H,1H3 |
| InChIKey |
FPJJRPOHMYCRRP-UHFFFAOYSA-N |
| Molecular Weight |
216.192 g/mol |
| SMILES |
C1(=O)C2=C(C(C(=C1C(C)=O)O)=O)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980694 |
