| SpectraBase Spectrum ID |
L9czSa4Ab2n |
| Name |
4-Phenyl-2,5,8(1H)-quinoneone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.058243151 u |
| Formula |
C15H9NO3 |
| InChI |
InChI=1S/C15H9NO3/c17-11-6-7-12(18)15-14(11)10(8-13(19)16-15)9-4-2-1-3-5-9/h1-8H,(H,16,19) |
| InChIKey |
QXDBAKKJDUNVEO-UHFFFAOYSA-N |
| Molecular Weight |
251.241 g/mol |
| SMILES |
C12=C(NC(C=C2C2=CC=CC=C2)=O)C(=O)C=CC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939677 |
