| SpectraBase Spectrum ID |
Dae4iuPVtJq |
| Name |
1,3-Diazaadamantane, 2-(4-methoxyphenyl)-6,6-dimethyl-5,7-dinitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.159019819 u |
| Formula |
C17H22N4O5 |
| InChI |
InChI=1S/C17H22N4O5/c1-15(2)16(20(22)23)8-18-10-17(15,21(24)25)11-19(9-16)14(18)12-4-6-13(26-3)7-5-12/h4-7,14H,8-11H2,1-3H3 |
| InChIKey |
AQUICHQENWTAOX-UHFFFAOYSA-N |
| Molecular Weight |
362.386 g/mol |
| SMILES |
C12(C(C3(N(=O)=O)CN(C2)C(N(C1)C3)C=1C=CC(OC)=CC1)(C)C)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835416 |
