| SpectraBase Spectrum ID |
425hZWZuIPq |
| Name |
1-Triphenodithiazinol, 2,4-bis(1,1-dimethylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.148655812 u |
| Formula |
C26H26N2OS2 |
| InChI |
InChI=1S/C26H26N2OS2/c1-25(2,3)14-11-15(26(4,5)6)24-22(23(14)29)28-18-13-20-17(12-21(18)31-24)27-16-9-7-8-10-19(16)30-20/h7-13,29H,1-6H3 |
| InChIKey |
HYZUXSYTAACZIY-UHFFFAOYSA-N |
| Molecular Weight |
446.627 g/mol |
| SMILES |
C1=2N=C3C=C4SC5=CC=CC=C5N=C4C=C3SC2C(C(C)(C)C)=CC(=C1O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948089 |
