| SpectraBase Spectrum ID |
BxpImSKzOLG |
| Name |
N-[(E)-(5-Tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-2,4-dinitro-aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.159019819 u |
| Formula |
C22H22N4O5 |
| InChI |
InChI=1S/C22H22N4O5/c1-22(2,3)31-21-9-5-7-15-6-4-8-16(18(21)12-15)14-23-24-19-11-10-17(25(27)28)13-20(19)26(29)30/h4-11,13-14,24H,12H2,1-3H3/b23-14+ |
| InChIKey |
XOQOJFIEECVHAP-OEAKJJBVSA-N |
| Molecular Weight |
422.441 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(=O)=O)=CC=C1N\N=C\C1=C2C(OC(C)(C)C)=CC=CC(C2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898478 |
![N-[(E)-(5-tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-2,4-dinitro-aniline](/api/spectrum/BxpImSKzOLG/structure.png?h=300&w=458 "N-[(E)-(5-tert-butoxy-7-bicyclo[4.4.1]undeca-1,3,5,7,9-pentaenyl)methyleneamino]-2,4-dinitro-aniline")
