| SpectraBase Spectrum ID |
T5Tak5c6S5 |
| Name |
2,8-Dinitro-6,12-diphenyldibenzo[B,F][1,5]diazocine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.117155007 u |
| Formula |
C26H16N4O4 |
| InChI |
InChI=1S/C26H16N4O4/c31-29(32)19-11-13-23-21(15-19)25(17-7-3-1-4-8-17)27-24-14-12-20(30(33)34)16-22(24)26(28-23)18-9-5-2-6-10-18/h1-16H/b25-21-,26-22-,27-24-,27-25-,28-23-,28-26- |
| InChIKey |
DMGTVRNISVAMGN-QPLBXIPMSA-N |
| Molecular Weight |
448.438 g/mol |
| SMILES |
N(=O)(=O)C=1C=CC2=C(\C(=N/C3=C(C=C(C=C3)N(=O)=O)\C(=N/2)C=2C=CC=CC2)C=2C=CC=CC2)C1 |
| Spectrum/Structure Validation Score (Raman) |
0.937246 |
![2,8-Dinitro-6,12-diphenyldibenzo[B,F][1,5]diazocine](/api/spectrum/T5Tak5c6S5/structure.png?h=300&w=458 "2,8-Dinitro-6,12-diphenyldibenzo[B,F][1,5]diazocine")
