| SpectraBase Spectrum ID |
81gvWcwFyK6 |
| Name |
2-(2-Methylolallyl)isoindoline-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.073893215 u |
| Formula |
C12H11NO3 |
| InChI |
InChI=1S/C12H11NO3/c1-8(7-14)6-13-11(15)9-4-2-3-5-10(9)12(13)16/h2-5,14H,1,6-7H2 |
| InChIKey |
BRTFLKZJCBFVPX-UHFFFAOYSA-N |
| Molecular Weight |
217.224 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)CC(=C)CO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971591 |
