| SpectraBase Compound ID | 5QTYUYXBRvn |
|---|---|
| InChI | InChI=1S/C10H12N2/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8,12H,1-2H3 |
| InChIKey | UFFFYFBEGKQPKR-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 | Ef8S7zR80Td |
|---|---|
| Name | 2-(Isopropylamino)benzonitrile |
| 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/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8,12H,1-2H3 |
| InChIKey | UFFFYFBEGKQPKR-UHFFFAOYSA-N |
| Molecular Weight | 160.220 g/mol |
| SMILES | C(#N)C=1C(NC(C)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816179 |