| SpectraBase Spectrum ID |
nVrY1bU1KI |
| Name |
2-(5-Methoxy-2-nitro-phenyl)propanenitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.069142187 u |
| Formula |
C10H10N2O3 |
| InChI |
InChI=1S/C10H10N2O3/c1-7(6-11)9-5-8(15-2)3-4-10(9)12(13)14/h3-5,7H,1-2H3 |
| InChIKey |
NZLNJDPGVXYNQI-UHFFFAOYSA-N |
| Molecular Weight |
206.201 g/mol |
| SMILES |
C=1(N(=O)=O)C(=CC(=CC1)OC)C(C#N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867691 |
