![Propanenitrile, 3-[(4-methylphenyl)amino]-](/api/spectrum/7kmO6FZIxZO/structure.png?h=300&w=458 "Propanenitrile, 3-[(4-methylphenyl)amino]-")
| SpectraBase Compound ID | 3Ht0nkr7z0F |
|---|---|
| InChI | InChI=1S/C10H12N2/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6,12H,2,8H2,1H3 |
| InChIKey | MKXMURBQSSTNIT-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C10H12N2 |
| Exact Mass | 160.100048 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7kmO6FZIxZO |
|---|---|
| Name | Propanenitrile, 3-[(4-methylphenyl)amino]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.100048394 u |
| Formula | C10H12N2 |
| InChI | InChI=1S/C10H12N2/c1-9-3-5-10(6-4-9)12-8-2-7-11/h3-6,12H,2,8H2,1H3 |
| InChIKey | MKXMURBQSSTNIT-UHFFFAOYSA-N |
| Molecular Weight | 160.220 g/mol |
| SMILES | CC1=CC=C(C=C1)NCCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963616 |