| SpectraBase Spectrum ID |
mFmZFg1tHQ |
| Name |
2-Homopiperonylisoindoline-1,3-quinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.084457899 u |
| Formula |
C17H13NO4 |
| InChI |
InChI=1S/C17H13NO4/c19-16-12-3-1-2-4-13(12)17(20)18(16)8-7-11-5-6-14-15(9-11)22-10-21-14/h1-6,9H,7-8,10H2 |
| InChIKey |
VMGIHFIMUNKMLY-UHFFFAOYSA-N |
| Molecular Weight |
295.294 g/mol |
| SMILES |
C1(N(C(C2=CC=CC=C12)=O)CCC=1C=C2OCOC2=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946677 |
