| SpectraBase Spectrum ID |
BFBPhGQUfKq |
| Name |
4-o-Acetylmethylene-2-phenyl-2-oxazolin-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.053157770 u |
| Formula |
C12H9NO4 |
| InChI |
InChI=1S/C12H9NO4/c1-8(14)16-7-10-12(15)17-11(13-10)9-5-3-2-4-6-9/h2-7H,1H3/b10-7+ |
| InChIKey |
UYJXKESBZFCWJF-JXMROGBWSA-N |
| Molecular Weight |
231.207 g/mol |
| SMILES |
C1(=N\C(C(O1)=O)=C/OC(=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932044 |
