| SpectraBase Spectrum ID |
f00Tbwo48 |
| Name |
Bicyclo[26.4.1]tritriaconta-2,4,6,8,10,12,18,20,22,24,26,28,30,32-tetradecaene-14,16-diyne, 13,18-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E)- |
| CAS Registry Number |
115495-23-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C41H44 |
| InChI |
InChI=1S/C41H44/c1-40(2,3)38-31-21-17-13-9-7-8-11-15-19-27-36-29-23-24-30-37(35-36)28-20-16-12-10-14-18-22-32-39(41(4,5)6)34-26-25-33-38/h7-24,27-32H,35H2,1-6H3/b8-7-,9-7-,11-8-,12-10-,13-9-,14-10-,15-11-,16-12-,17-13-,18-14-,19-15-,20-16-,21-17-,22-18-,27-19-,28-20-,31-21-,32-22-,36-27-,37-28-,38-31+,39-32+ |
| InChIKey |
NDQBBOQNJNXEDW-RFSAANPFSA-N |
| Molecular Weight |
536.803 g/mol |
| SMILES |
C#1\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#CC1)C(C)(C)C)=CC=CC2)C(C)(C)C |
| SPLASH |
splash10-0a4i-9000000000-a99ab4384831fd2e9435 |
| Source of Spectrum |
KC-1988-393-26 |
| Synonyms |
13,18-ditert-butylbicyclo[26.4.1]tritriaconta-1(32),2,4,6,8,10,12,18,20,22,24,26,28,30-tetradecaene-14,16-diyne
17,18,19,20-Tetrahydro-16,21-di-t-butyl-1,6-methano[32]annulene |
| Wiley ID |
1404183 |
![Bicyclo[26.4.1]tritriaconta-2,4,6,8,10,12,18,20,22,24,26,28,30,32-tetradecaene-14,16-diyne, 13,18-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E)-](/api/spectrum/f00Tbwo48/structure.png?h=300&w=458 "Bicyclo[26.4.1]tritriaconta-2,4,6,8,10,12,18,20,22,24,26,28,30,32-tetradecaene-14,16-diyne, 13,18-bis(1,1-dimethylethyl)-, (Z,Z,E,E,E,E,E,E,E,E,E)-")
