| SpectraBase Compound ID | 1V7OXoC6zOj |
|---|---|
| InChI | InChI=1S/C10H12N2/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3 |
| InChIKey | VUUHXRVVDUAGOL-UHFFFAOYSA-N |
| Mol Weight | 160.22 g/mol |
| Molecular Formula | C10H12N2 |
| Exact Mass | 160.100048 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 80u37xFgFwH |
|---|---|
| Name | 3-(3-Toluidino)propanenitrile |
| 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/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3 |
| InChIKey | VUUHXRVVDUAGOL-UHFFFAOYSA-N |
| Molecular Weight | 160.220 g/mol |
| SMILES | C(NC1=CC(=CC=C1)C)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.832135 |