| SpectraBase Spectrum ID |
3tDhd9YtIKb |
| Name |
4-Benzoyl-3-hydroxy-5-(4-methoxy-phenyl)-1,5-dihydro-pyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.100107963 u |
| Formula |
C18H15NO4 |
| InChI |
InChI=1S/C18H15NO4/c1-23-13-9-7-11(8-10-13)15-14(17(21)18(22)19-15)16(20)12-5-3-2-4-6-12/h2-10,15,21H,1H3,(H,19,22) |
| InChIKey |
KFEOJJPLRIQBSW-UHFFFAOYSA-N |
| SMILES |
C1(C(C(C=2C=CC=CC2)=O)=C(O)C(N1)=O)C1=CC=C(OC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938988 |