| SpectraBase Spectrum ID |
4gh6L0cv7YR |
| Name |
5-(1,3-Benzodioxol-5-yl)-3-methylene-1-phenyl-2-pyrrolodinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.105193344 u |
| Formula |
C18H15NO3 |
| InChI |
InChI=1S/C18H15NO3/c1-12-9-15(13-7-8-16-17(10-13)22-11-21-16)19(18(12)20)14-5-3-2-4-6-14/h2-8,10,15H,1,9,11H2 |
| InChIKey |
RLBZCTKSXSYNCW-UHFFFAOYSA-N |
| SMILES |
C1(N(C(CC1=C)C1=CC=2OCOC2C=C1)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955336 |