| SpectraBase Compound ID | H3WCqdvhJHH |
|---|---|
| InChI | InChI=1S/C13H17N/c1-9(2)11-5-6-12(8-14)13(7-11)10(3)4/h5-7,9-10H,1-4H3 |
| InChIKey | HZCVXKWNVIXJOR-UHFFFAOYSA-N |
| Mol Weight | 187.29 g/mol |
| Molecular Formula | C13H17N |
| Exact Mass | 187.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KnzFvDZfniA |
|---|---|
| Name | 2,4-Diisopropyl-benzonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.136099551 u |
| Formula | C13H17N |
| InChI | InChI=1S/C13H17N/c1-9(2)11-5-6-12(8-14)13(7-11)10(3)4/h5-7,9-10H,1-4H3 |
| InChIKey | HZCVXKWNVIXJOR-UHFFFAOYSA-N |
| Molecular Weight | 187.286 g/mol |
| SMILES | C(C=1C(=CC(=CC1)C(C)C)C(C)C)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919083 |