| SpectraBase Spectrum ID |
KH8qtAV9dsc |
| Name |
Hexahydro-3-methyl-1,4-dinitroso-R,2,C-7-diphenyl-1H-1,4-diazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.158625898 u |
| Formula |
C18H20N4O2 |
| InChI |
InChI=1S/C18H20N4O2/c1-14-18(16-10-6-3-7-11-16)22(20-24)17(12-13-21(14)19-23)15-8-4-2-5-9-15/h2-11,14,17-18H,12-13H2,1H3 |
| InChIKey |
UUZSYYXMLACRIB-UHFFFAOYSA-N |
| Molecular Weight |
324.384 g/mol |
| SMILES |
C1(N(C(CCN(C1C)N=O)C=1C=CC=CC1)N=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838108 |
