| SpectraBase Spectrum ID |
5GNNH4DInqg |
| Name |
1,3,6,8-Tetranitropyrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.018563161 u |
| Formula |
C16H6N4O8 |
| InChI |
InChI=1S/C16H6N4O8/c21-17(22)11-5-13(19(25)26)9-3-4-10-14(20(27)28)6-12(18(23)24)8-2-1-7(11)15(9)16(8)10/h1-6H |
| InChIKey |
KSYXGBHNJOKVIK-UHFFFAOYSA-N |
| Molecular Weight |
382.244 g/mol |
| SMILES |
N(=O)(=O)C=1C=C(C2=C3C=4C(=C(C=C(C4C=C2)N(=O)=O)N(=O)=O)C=CC13)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) |
0.969189 |
