| SpectraBase Spectrum ID |
BrEuJ5DJF9J |
| Name |
4-((E)-3-((3s)-adamantan-1-yl)buta-1,3-dien-1-yl)benzonitrile |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23N |
| InChI |
InChI=1S/C21H23N/c1-15(2-3-16-4-6-17(14-22)7-5-16)21-11-18-8-19(12-21)10-20(9-18)13-21/h2-7,18-20H,1,8-13H2/b3-2+/t18-,19+,20-,21- |
| InChIKey |
XAVVVIBDLULKHN-NSCUHMNNSA-N |
| Literature Reference DOI |
10.1039/c4cc03651d |
| Molecular Weight |
289.422 g/mol |
| SMILES |
C1[C@]2(CC3(C[C@@]1(C[C@@](C2)(C3)[H])[H])C(\C=C\c1ccc(cc1)C#N)=C)[H] |
| SPLASH |
splash10-000i-2910000000-9df7c39685bec77fdcae |
| Source of Spectrum |
KD-50-8050/SMS8-3k |
| Synonyms |
4-((E)-3-((3r,5r,7r)-adamantan-1-yl)buta-1,3-dien-1-yl)benzonitrile |
| Wiley ID |
1754741 |
