| SpectraBase Spectrum ID |
HX3kayb1VLo |
| Name |
3,3'',6,6''-Tetra(T-butyl)-1,1':4',1''-ternaphthalene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.406901674 u |
| Formula |
C46H52 |
| InChI |
InChI=1S/C46H52/c1-43(2,3)31-17-19-35-29(23-31)25-33(45(7,8)9)27-41(35)39-21-22-40(38-16-14-13-15-37(38)39)42-28-34(46(10,11)12)26-30-24-32(44(4,5)6)18-20-36(30)42/h13-28H,1-12H3 |
| InChIKey |
MLYNBBSDFIQYTD-UHFFFAOYSA-N |
| Molecular Weight |
604.922 g/mol |
| SMILES |
C1(C2=C3C(C=CC=C3)=C(C3=C4C(C=C(C=C4)C(C)(C)C)=CC(=C3)C(C)(C)C)C=C2)=C2C(C=C(C=C2)C(C)(C)C)=CC(=C1)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.863256 |
