| SpectraBase Spectrum ID |
JzYwaZlprxl |
| Name |
5,7-Dinitro-2-(4-nitrophenyl)-1,3-diazaadamantane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.102233217 u |
| Formula |
C14H15N5O6 |
| InChI |
InChI=1S/C14H15N5O6/c20-17(21)11-3-1-10(2-4-11)12-15-6-13(18(22)23)5-14(8-15,19(24)25)9-16(12)7-13/h1-4,12H,5-9H2/t12?,13-,14+ |
| InChIKey |
YILKNBDBEQCCFT-AGUYFDCRSA-N |
| Molecular Weight |
349.303 g/mol |
| SMILES |
C1N2C(N3C[C@]1(C[C@@](C3)(C2)N(=O)=O)N(=O)=O)C1=CC=C(N(=O)=O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922523 |
