| SpectraBase Spectrum ID |
D0LrzEvOYSR |
| Name |
1,3-Di-(1-adamantyl)-4-cyano-5-nitrobenzene |
| Alternate Name(s) |
2,4-Di(1-adamantyl)-6-nitrobenzonitrile
Benzonitrile, 2-nitro-4,6-bis(tricyclo[3.3.1.1(3,7)]dec-1-yl)- |
| CAS Registry Number |
71466-66-5 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H32N2O2 |
| InChI |
InChI=1S/C27H32N2O2/c28-15-23-24(27-12-19-4-20(13-27)6-21(5-19)14-27)7-22(8-25(23)29(30)31)26-9-16-1-17(10-26)3-18(2-16)11-26/h7-8,16-21H,1-6,9-14H2 |
| InChIKey |
HAOWUGXAKLKRIN-UHFFFAOYSA-N |
| Molecular Weight |
416.565 g/mol |
| SMILES |
C12(c3c(c(N(=O)=O)cc(C45CC6CC(C5)CC(C4)C6)c3)C#N)CC3CC(C2)CC(C1)C3 |
| SPLASH |
splash10-014i-2211900000-e9dc0a94915d682bd474 |
| Source of Spectrum |
KC-1979-472-0 |
| Wiley ID |
1376567 |
