| SpectraBase Spectrum ID |
3NFuKpKFDE |
| Name |
1-(1-Adamantyl)-4-cyano-3,5-dinitrobenzene |
| Alternate Name(s) |
4-(1-adamantyl)-2,6-dinitrobenzonitrile
Benzonitrile, 2,6-dinitro-4-tricyclo[3.3.1.1(3,7)]dec-1-yl- |
| CAS Registry Number |
71466-64-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H17N3O4 |
| InChI |
InChI=1S/C17H17N3O4/c18-9-14-15(19(21)22)4-13(5-16(14)20(23)24)17-6-10-1-11(7-17)3-12(2-10)8-17/h4-5,10-12H,1-3,6-8H2 |
| InChIKey |
JTDHGTAMCCODKQ-UHFFFAOYSA-N |
| Molecular Weight |
327.340 g/mol |
| SMILES |
c1(c(N(=O)=O)cc(C23CC4CC(C3)CC(C2)C4)cc1N(=O)=O)C#N |
| SPLASH |
splash10-002f-9204000000-8a8bff52133d0a019e2a |
| Source of Spectrum |
KC-1979-472-0 |
| Wiley ID |
1325466 |
