| SpectraBase Spectrum ID |
3wiN3QBuRr5 |
| Name |
(E)-3-Hydroxy-4-methyl-5-(2-oxotetrahydrofuran-3-ylidene)-1-phenyl-2,5-dihydropyrrol-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.084457899 u |
| Formula |
C15H13NO4 |
| InChI |
InChI=1S/C15H13NO4/c1-9-12(11-7-8-20-15(11)19)16(14(18)13(9)17)10-5-3-2-4-6-10/h2-6,17H,7-8H2,1H3/b12-11+ |
| InChIKey |
ICCBLLSDGAPWRC-VAWYXSNFSA-N |
| SMILES |
C1(N(\C(C(=C1O)C)=C/1C(OCC1)=O)C=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903551 |
