| SpectraBase Spectrum ID |
Eb1T70pAtdK |
| Name |
2-(3-Hydroxypropyl)-5-(4-nitrophenoxy)-1H-isoindole-1,3(2H)-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
342.085186173 u |
| Formula |
C17H14N2O6 |
| InChI |
InChI=1S/C17H14N2O6/c20-9-1-8-18-16(21)14-7-6-13(10-15(14)17(18)22)25-12-4-2-11(3-5-12)19(23)24/h2-7,10,20H,1,8-9H2 |
| InChIKey |
CFKSLSCNQRNFDW-UHFFFAOYSA-N |
| Molecular Weight |
342.307 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(C=C1)OC1=CC2=C(C=C1)C(=O)N(C2=O)CCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841034 |
