| SpectraBase Spectrum ID |
8QkWAAeOZ5p |
| Name |
5-(4,9-Methanocycloundeca-2',4',6',8',10'-pentaenylidene)-1-methylpyrimidine-2,4,6-(1,3,5H)-trione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
294.100442316 u |
| Formula |
C17H14N2O3 |
| InChI |
InChI=1S/C17H14N2O3/c1-19-16(21)14(15(20)18-17(19)22)13-8-6-11-4-2-3-5-12(10-11)7-9-13/h2-9H,10H2,1H3,(H,18,20,22)/b8-6-,9-7- |
| InChIKey |
PRZZCCGKXQSHTK-VRHVFUOLSA-N |
| Molecular Weight |
294.310 g/mol |
| SMILES |
C1(N(C(NC(C1=C1\C=C/C2=CC=CC=C(\C=C/1)C2)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935788 |
