| SpectraBase Spectrum ID |
B2sl6VN6yev |
| Name |
4-(1-Hydroxyethylen)-2-oxopropyl-1,2-naphthoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.073558862 u |
| Formula |
C15H12O4 |
| InChI |
InChI=1S/C15H12O4/c1-8(16)14(9(2)17)12-7-13(18)15(19)11-6-4-3-5-10(11)12/h3-7,16H,1-2H3/b14-8- |
| InChIKey |
XOCDOGHSRVTWNI-ZSOIEALJSA-N |
| Molecular Weight |
256.257 g/mol |
| SMILES |
C1(\C(=C\(O)C)C(=O)C)=CC(=O)C(C=2C1=CC=CC2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959773 |
