| SpectraBase Spectrum ID |
KkPGjoJ3FUh |
| Name |
2,3-Bis[(adamantylcarbonyl)ethynyl]bicyclo[2.2.1]hepta-2,5-diene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C33H36O2 |
| InChI |
InChI=1S/C33H36O2/c34-30(32-14-20-7-21(15-32)9-22(8-20)16-32)5-3-28-26-1-2-27(13-26)29(28)4-6-31(35)33-17-23-10-24(18-33)12-25(11-23)19-33/h1-2,20-27H,7-19H2/t20?,21?,22?,23?,24?,25?,26-,27+,32?,33? |
| InChIKey |
FADBCQYTQGCUKG-OUQNCULCSA-N |
| Molecular Weight |
464.649 g/mol |
| SMILES |
C1(=C(C#CC(C23CC4CC(C3)CC(C2)C4)=O)[C@@]2(C[C@]1(C=C2)[H])[H])C#CC(C12CC3CC(C2)CC(C1)C3)=O |
| SPLASH |
splash10-000i-0900000000-78f74ca81bc3d7f6bfd7 |
| Source of Spectrum |
J-61-6165-3 |
| Synonyms |
1-(1-adamantyl)-3-{3-[3-(1-adamantyl)-3-oxo-1-propynyl]bicyclo[2.2.1]hepta-2,5-dien-2-yl}-2-propyn-1-one |
| Wiley ID |
1391656 |
![2,3-Bis[(adamantylcarbonyl)ethynyl]bicyclo[2.2.1]hepta-2,5-diene](/api/spectrum/KkPGjoJ3FUh/structure.png?h=300&w=458 "2,3-Bis[(adamantylcarbonyl)ethynyl]bicyclo[2.2.1]hepta-2,5-diene")
