| SpectraBase Spectrum ID |
KGSrtBMTFF2 |
| Name |
2,3,7,8-Tetrahydro-2,2,3,3,7,7,8,8-octamethyl-N(1),N(9)-(1,1'-[(4,5-dimethylphen-1,2-ylen)-dinitrilo]-2,2,2',2'-tetramethylbis-[propyl])-11H-dipyrrin-1,9- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
556.425345698 u |
| Formula |
C35H52N6 |
| InChI |
InChI=1S/C35H52N6/c1-20-17-22-23(18-21(20)2)37-27(31(6,7)8)41-29-35(15,16)33(11,12)25(39-29)19-24-32(9,10)34(13,14)28(38-24)40-26(36-22)30(3,4)5/h17-19H,1-16H3,(H,36,38,40)/b24-19-,37-27+,41-29- |
| InChIKey |
GKRISYSEKVWDHY-ZSNGXCNBSA-N |
| Molecular Weight |
556.843 g/mol |
| SMILES |
C12=N\C(=N/C(=N/C=3C(\N=C/(\N=C\4N\C(=C/2)C(C4(C)C)(C)C)C(C)(C)C)=CC(=C(C3)C)C)C(C)(C)C)C(C1(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960907 |
![2,3,7,8-Tetrahydro-2,2,3,3,7,7,8,8-octamethyl-N(1),N(9)-(1,1'-[(4,5-dimethylphen-1,2-ylen)-dinitrilo]-2,2,2',2'-tetramethylbis-[propyl])-11H-dipyrrin-1,9-](/api/spectrum/KGSrtBMTFF2/structure.png?h=300&w=458 "2,3,7,8-Tetrahydro-2,2,3,3,7,7,8,8-octamethyl-N(1),N(9)-(1,1'-[(4,5-dimethylphen-1,2-ylen)-dinitrilo]-2,2,2',2'-tetramethylbis-[propyl])-11H-dipyrrin-1,9-")
