| SpectraBase Spectrum ID |
1PpdNMVl8KH |
| Name |
5,6-bis(hex-1-Ynyl)isoindole-1,3-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
307.157228918 u |
| Formula |
C20H21NO2 |
| InChI |
InChI=1S/C20H21NO2/c1-3-5-7-9-11-15-13-17-18(20(23)21-19(17)22)14-16(15)12-10-8-6-4-2/h13-14H,3-8H2,1-2H3,(H,21,22,23) |
| InChIKey |
XPOJIJLTMPSDJO-UHFFFAOYSA-N |
| Molecular Weight |
307.393 g/mol |
| SMILES |
C1(NC(C2=CC(=C(C=C12)C#CCCCC)C#CCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926581 |
