| SpectraBase Spectrum ID |
B99Q2A7pYr7 |
| Name |
Bis(ethynyl)-iptycene-(dibenzo / dinaphtho) |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C46H26 |
| InChI |
InChI=1S/C46H26/c1-3-29-43-39-31-17-9-11-19-33(31)40(34-20-12-10-18-32(34)39)44(43)30(4-2)46-42-37-23-27-15-7-5-13-25(27)21-35(37)41(45(29)46)36-22-26-14-6-8-16-28(26)24-38(36)42/h1-2,5-24,39-42H/t39-,40+,41-,42+ |
| InChIKey |
VMYGBFFCXBPXGY-LDCYWHLHSA-N |
| Molecular Weight |
578.714 g/mol |
| SMILES |
c12c([C@]3(c4cc5ccccc5cc4[C@@]2(c2cc4ccccc4cc32)[H])[H])c(c2[C@@]3(c4ccccc4[C@](c2c1C#C)(c1ccccc31)[H])[H])C#C |
| SPLASH |
splash10-004i-0000090000-f17542f764302419afbd |
| Source of Spectrum |
C-120-11872-8 |
| Wiley ID |
1699976 |
