| SpectraBase Spectrum ID |
GyDZ2rxMKR2 |
| Name |
1,2,4-Tris(4-tert-butylphenyl)anthraquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
604.334130655 u |
| Formula |
C44H44O2 |
| InChI |
InChI=1S/C44H44O2/c1-42(2,3)30-20-14-27(15-21-30)35-26-36(28-16-22-31(23-17-28)43(4,5)6)38-39(41(46)34-13-11-10-12-33(34)40(38)45)37(35)29-18-24-32(25-19-29)44(7,8)9/h10-26H,1-9H3 |
| InChIKey |
KNXQRJVZIQIVMO-UHFFFAOYSA-N |
| Molecular Weight |
604.834 g/mol |
| SMILES |
C=12C(C(=O)C3=C(C2=O)C=CC=C3)=C(C2=CC=C(C(C)(C)C)C=C2)C=C(C1C=1C=CC(C(C)(C)C)=CC1)C=1C=CC(C(C)(C)C)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87973 |
