| SpectraBase Spectrum ID |
ICzBIKOVinv |
| Name |
1-(2,2-Dimethoxyethyl)-2-methyl-3-nitrobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.100107963 u |
| Formula |
C11H15NO4 |
| InChI |
InChI=1S/C11H15NO4/c1-8-9(7-11(15-2)16-3)5-4-6-10(8)12(13)14/h4-6,11H,7H2,1-3H3 |
| InChIKey |
KOJWXTVFPBOSKE-UHFFFAOYSA-N |
| Molecular Weight |
225.244 g/mol |
| SMILES |
C1(N(=O)=O)=C(C(CC(OC)OC)=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.871144 |
