| SpectraBase Spectrum ID |
AfrzSMy6NGA |
| Name |
3-oxo-4-Methylimino-1,5-cyclohexadienylphenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.078978596 u |
| Formula |
C14H11NO2 |
| InChI |
InChI=1S/C14H11NO2/c1-15-12-8-7-11(9-13(12)16)14(17)10-5-3-2-4-6-10/h2-9H,1H3/b15-12- |
| InChIKey |
DPQBNXBTWVILGK-QINSGFPZSA-N |
| Molecular Weight |
225.247 g/mol |
| SMILES |
C1(=CC(=O)\C(C=C1)=N/C)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964037 |
