| SpectraBase Spectrum ID |
ICkIKuk186r |
| Name |
2-Hydroxy-2-(4-keto-2-phenyl-2-oxazolin-5-yl)cyclohexane-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.079372518 u |
| Formula |
C15H13NO5 |
| InChI |
InChI=1S/C15H13NO5/c17-10-7-4-8-11(18)15(10,20)12-13(19)16-14(21-12)9-5-2-1-3-6-9/h1-3,5-6,12,20H,4,7-8H2 |
| InChIKey |
XNVIVAFHNOUOTE-UHFFFAOYSA-N |
| SMILES |
C1(C2(C(=O)CCCC2=O)O)C(N=C(O1)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912753 |
