| SpectraBase Spectrum ID |
9OFDLD0JeHt |
| Name |
Bicyclo[32.4.1]nonatriaconta-2,4,6,8,10,12,14,20,22,24,26,28,30,32,34,36,38-heptadecaene-16,18-diyne, 15,20-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E,E,E,E)- |
| CAS Registry Number |
115495-25-5 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C47H50 |
| InChI |
InChI=1S/C47H50/c1-46(2,3)44-37-27-23-19-15-11-7-9-13-17-21-25-33-42-35-29-30-36-43(41-42)34-26-22-18-14-10-8-12-16-20-24-28-38-45(47(4,5)6)40-32-31-39-44/h7-30,33-38H,41H2,1-6H3/b9-7-,10-8-,11-7-,12-8-,13-9-,14-10-,15-11-,16-12-,17-13-,18-14-,19-15-,20-16-,21-17-,22-18-,23-19-,24-20-,25-21-,26-22-,27-23-,28-24-,33-25-,34-26-,37-27-,38-28-,42-33-,43-34-,44-37+,45-38+ |
| InChIKey |
JXIZYOZWOXWOKJ-IEASZXDHSA-N |
| Molecular Weight |
614.917 g/mol |
| SMILES |
C#1\C(=C/C=C\C=C/C=C\C=C/C=C\C=C/C=2CC(\C=C/C=C\C=C/C=C\C=C/C=C\C=C/(C#CC1)C(C)(C)C)=CC=CC2)C(C)(C)C |
| SPLASH |
splash10-004i-9000000000-5ecdce56271b816f6d29 |
| Source of Spectrum |
KC-1988-393-28 |
| Synonyms |
15,20-ditert-butylbicyclo[32.4.1]nonatriaconta-1(38),2,4,6,8,10,12,14,20,22,24,26,28,30,32,34,36-heptadecaene-16,18-diyne
21,22,23,24-Tetrahydro-20,25-di-t-butyl-1,6-methano[38]annulene |
| Wiley ID |
1411243 |
![Bicyclo[32.4.1]nonatriaconta-2,4,6,8,10,12,14,20,22,24,26,28,30,32,34,36,38-heptadecaene-16,18-diyne, 15,20-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E,E,E,E)-](/api/spectrum/9OFDLD0JeHt/structure.png?h=300&w=458 "Bicyclo[32.4.1]nonatriaconta-2,4,6,8,10,12,14,20,22,24,26,28,30,32,34,36,38-heptadecaene-16,18-diyne, 15,20-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E,E,E,E)-")
