| SpectraBase Compound ID | 7attCJflNbf |
|---|---|
| InChI | InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3 |
| InChIKey | NPCCPMHHNIOSHL-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C12H16N2 |
| Exact Mass | 188.131349 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Be5irhr72Vf |
|---|---|
| Name | 3-(N-Ethyl-m-toluidino)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.131348523 u |
| Formula | C12H16N2 |
| InChI | InChI=1S/C12H16N2/c1-3-14(9-5-8-13)12-7-4-6-11(2)10-12/h4,6-7,10H,3,5,9H2,1-2H3 |
| InChIKey | NPCCPMHHNIOSHL-UHFFFAOYSA-N |
| Molecular Weight | 188.274 g/mol |
| SMILES | C=1C(=CC=CC1C)N(CCC#N)CC |
| Spectrum/Structure Validation Score (Raman) | 0.869672 |