| SpectraBase Spectrum ID |
CTtZXXBb5i2 |
| Name |
1H-Isoindole-1,3(2H)-dione, 2-(4-hydroxybutyl)- |
| 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/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2 |
| InChIKey |
FWNCNQDIENYPDJ-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C1(N(C(C=2C=CC=CC12)=O)CCCCO)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955858 |
