| SpectraBase Compound ID | JUrmRkaOtFE |
|---|---|
| InChI | InChI=1S/C9H9N3O2/c1-11(2)8-3-4-9(12(13)14)7(5-8)6-10/h3-5H,1-2H3 |
| InChIKey | DRDILJFMVCWKPR-UHFFFAOYSA-N |
| Mol Weight | 191.19 g/mol |
| Molecular Formula | C9H9N3O2 |
| Exact Mass | 191.069477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 62UOPxHR1Bs |
|---|---|
| Name | Benzonitrile, 5-(dimethylamino)-2-nitro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 191.069476540 u |
| Formula | C9H9N3O2 |
| InChI | InChI=1S/C9H9N3O2/c1-11(2)8-3-4-9(12(13)14)7(5-8)6-10/h3-5H,1-2H3 |
| InChIKey | DRDILJFMVCWKPR-UHFFFAOYSA-N |
| Molecular Weight | 191.190 g/mol |
| SMILES | CN(C)C1=CC=C([N+]([O-])=O)C(C#N)=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843178 |