| SpectraBase Spectrum ID |
HRRJ6xQ6Gxi |
| Name |
Diphenyl ether, 2,4,6,2',4'-pentanitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.998555990 u |
| Formula |
C12H5N5O11 |
| InChI |
InChI=1S/C12H5N5O11/c18-13(19)6-1-2-11(8(3-6)15(22)23)28-12-9(16(24)25)4-7(14(20)21)5-10(12)17(26)27/h1-5H |
| InChIKey |
UCAHGXFXBRSTPX-UHFFFAOYSA-N |
| Molecular Weight |
395.196 g/mol |
| SMILES |
C1=C(C(=C(C=C1N(=O)=O)N(=O)=O)OC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987072 |
