| SpectraBase Compound ID | IcKgbCPaskP |
|---|---|
| InChI | InChI=1S/C8H10N2O2/c1-9-6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3 |
| InChIKey | JLKRJHPQNYVSGM-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 | Cfk4PhZ93Bu |
|---|---|
| Name | Benzenemethanamine, N-methyl-4-nitro- |
| 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/c1-9-6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3 |
| InChIKey | JLKRJHPQNYVSGM-UHFFFAOYSA-N |
| Molecular Weight | 166.180 g/mol |
| SMILES | CNCC1=CC=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964271 |