| SpectraBase Compound ID | EUp8CsCX7jT |
|---|---|
| InChI | InChI=1S/C9H10N2O2/c1-3-7-8(10-2)5-4-6-9(7)11(12)13/h3-6,10H,1H2,2H3 |
| InChIKey | FQDSKKPLGXYDSD-UHFFFAOYSA-N |
| Mol Weight | 178.19 g/mol |
| Molecular Formula | C9H10N2O2 |
| Exact Mass | 178.074228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F8xm6ob27RD |
|---|---|
| Name | N-Methyl-2-vinyl-3-nitroaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.074227568 u |
| Formula | C9H10N2O2 |
| InChI | InChI=1S/C9H10N2O2/c1-3-7-8(10-2)5-4-6-9(7)11(12)13/h3-6,10H,1H2,2H3 |
| InChIKey | FQDSKKPLGXYDSD-UHFFFAOYSA-N |
| Molecular Weight | 178.191 g/mol |
| SMILES | C1(N(=O)=O)=C(C=C)C(NC)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895792 |