| SpectraBase Compound ID | 6lDsR6OM9ns |
|---|---|
| InChI | InChI=1S/C8H10N2O2/c1-7(10(11)12)5-8-3-2-4-9-6-8/h2-4,6-7H,5H2,1H3 |
| InChIKey | KLVWHWOQWLKKTC-UHFFFAOYSA-N |
| Mol Weight | 166.18 g/mol |
| Molecular Formula | C8H10N2O2 |
| Exact Mass | 166.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 54noanJ2Rik |
|---|---|
| Name | 1-(3-Pyridyl)-2-nitropropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.074227568 u |
| Formula | C8H10N2O2 |
| InChI | InChI=1S/C8H10N2O2/c1-7(10(11)12)5-8-3-2-4-9-6-8/h2-4,6-7H,5H2,1H3 |
| InChIKey | KLVWHWOQWLKKTC-UHFFFAOYSA-N |
| Molecular Weight | 166.180 g/mol |
| SMILES | C=1(CC([N+](=O)[O-])C)C=CC=NC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965129 |