| SpectraBase Spectrum ID |
8CeIFOeCuh0 |
| Name |
2-(2-Hydroxy-2-methyl-propyl)-isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c1-12(2,16)7-13-10(14)8-5-3-4-6-9(8)11(13)15/h3-6,16H,7H2,1-2H3 |
| InChIKey |
JMASLAZJPTVVNT-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)CC(O)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947403 |
