| SpectraBase Spectrum ID |
ISlgBnX50wW |
| Name |
2-(5-Hydroxy-3-oxohex-4-enyl)naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.089208927 u |
| Formula |
C16H14O4 |
| InChI |
InChI=1S/C16H14O4/c1-10(17)8-12(18)7-6-11-9-15(19)13-4-2-3-5-14(13)16(11)20/h2-5,8-9,17H,6-7H2,1H3/b10-8- |
| InChIKey |
XVQWJHAWTVZUIN-NTMALXAHSA-N |
| SMILES |
C1(C(=CC(C=2C=CC=CC12)=O)CCC(\C=C\(C)O)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869431 |
