| SpectraBase Compound ID | EWmFPRUz9Tr |
|---|---|
| InChI | InChI=1S/C9H11NO2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3 |
| InChIKey | XNJKEMMIHMROKW-UHFFFAOYSA-N |
| Mol Weight | 165.19 g/mol |
| Molecular Formula | C9H11NO2 |
| Exact Mass | 165.078979 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EyZTq6HDMkM |
|---|---|
| Name | 2-(3-Methylphenyl)nitroethane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.078978596 u |
| Formula | C9H11NO2 |
| InChI | InChI=1S/C9H11NO2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,5-6H2,1H3 |
| InChIKey | XNJKEMMIHMROKW-UHFFFAOYSA-N |
| Molecular Weight | 165.192 g/mol |
| SMILES | C1(=CC(=CC=C1)C)CC[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971078 |