| SpectraBase Compound ID | ANL2uGyEcLJ |
|---|---|
| InChI | InChI=1S/C9H16N2/c1-8(2)11-9(3)6-4-5-7-10/h8H,4-6H2,1-3H3/b11-9+ |
| InChIKey | WBMRQXMOIQVAHA-PKNBQFBNSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C9H16N2 |
| Exact Mass | 152.131349 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5JSDRg9BlbO |
|---|---|
| Name | 5-Isopropylimino hexanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.131348523 u |
| Formula | C9H16N2 |
| InChI | InChI=1S/C9H16N2/c1-8(2)11-9(3)6-4-5-7-10/h8H,4-6H2,1-3H3/b11-9+ |
| InChIKey | WBMRQXMOIQVAHA-PKNBQFBNSA-N |
| Molecular Weight | 152.241 g/mol |
| SMILES | C(#N)CCC\C(=N\C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919831 |