| SpectraBase Spectrum ID |
Ggct8jlBGTv |
| Name |
2,4-Dinitro-3-(2,6-dimethoxyphenyl)pentane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.116486302 u |
| Formula |
C13H18N2O6 |
| InChI |
InChI=1S/C13H18N2O6/c1-8(14(16)17)12(9(2)15(18)19)13-10(20-3)6-5-7-11(13)21-4/h5-9,12H,1-4H3 |
| InChIKey |
GKWMUPOKTKIYDA-UHFFFAOYSA-N |
| SMILES |
C=1(C(C([N+](=O)[O-])C)C([N+](=O)[O-])C)C(=CC=CC1OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932748 |
