| SpectraBase Spectrum ID |
Kxj4TdK9v1S |
| Name |
9H-Xanthene-3,6-diamine, N3,N3,N6,N6-tetraethyl-9-(2-nitrophenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.236541867 u |
| Formula |
C27H31N3O3 |
| InChI |
InChI=1S/C27H31N3O3/c1-5-28(6-2)19-13-15-22-25(17-19)33-26-18-20(29(7-3)8-4)14-16-23(26)27(22)21-11-9-10-12-24(21)30(31)32/h9-18,27H,5-8H2,1-4H3 |
| InChIKey |
GDHYMAUYXQCNHY-UHFFFAOYSA-N |
| Molecular Weight |
445.563 g/mol |
| SMILES |
CCN(CC)C1=CC=C2C(C3=CC=C(C=C3OC2=C1)N(CC)CC)C1=CC=CC=C1[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909153 |
