| SpectraBase Spectrum ID |
4RjgFYKdMGL |
| Name |
4,4',4''-(7-{4-[2-(Trimethylsilyl)ethynyl]phenyl}adamantane-1,3,5-triyl)tribenzonitrile |
| Alternate Name(s) |
4-[3,5-bis(4-cyanophenyl)-7-[4-(2-trimethylsilylethynyl)phenyl]-1-adamantyl]benzenecarbonitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C42H37N3Si |
| InChI |
InChI=1S/C42H37N3Si/c1-46(2,3)21-20-31-4-12-35(13-5-31)39-25-40(36-14-6-32(22-43)7-15-36)28-41(26-39,37-16-8-33(23-44)9-17-37)30-42(27-39,29-40)38-18-10-34(24-45)11-19-38/h4-19H,25-30H2,1-3H3/t39-,40+,41-,42+ |
| InChIKey |
UOPANYDYLIXMPK-LDCYWHLHSA-N |
| Molecular Weight |
611.864 g/mol |
| SMILES |
[C@]12(C[C@@]3(c4ccc(C#N)cc4)CC(C1)(C[C@@](C2)(C3)c1ccc(C#N)cc1)c1ccc(C#C[Si](C)(C)C)cc1)c1ccc(C#N)cc1 |
| SPLASH |
splash10-0002-0000093000-559870400d6c38496e26 |
| Source of Spectrum |
U1-2010-2094-11 |
| Wiley ID |
1663662 |
![4,4',4''-(7-{4-[2-(Trimethylsilyl)ethynyl]phenyl}adamantane-1,3,5-triyl)tribenzonitrile](/api/spectrum/4RjgFYKdMGL/structure.png?h=300&w=458 "4,4',4''-(7-{4-[2-(Trimethylsilyl)ethynyl]phenyl}adamantane-1,3,5-triyl)tribenzonitrile")
