| SpectraBase Compound ID | C9E3QarFZst |
|---|---|
| InChI | InChI=1S/C6H12N2/c1-6(2)8-5-3-4-7/h6,8H,3,5H2,1-2H3 |
| InChIKey | XBAXAJAODIQLCI-UHFFFAOYSA-N |
| Mol Weight | 112.18 g/mol |
| Molecular Formula | C6H12N2 |
| Exact Mass | 112.100048 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1DrY4pZ2dNf |
|---|---|
| Name | 3-(Isopropylamino)propionitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.100048394 u |
| Formula | C6H12N2 |
| InChI | InChI=1S/C6H12N2/c1-6(2)8-5-3-4-7/h6,8H,3,5H2,1-2H3 |
| InChIKey | XBAXAJAODIQLCI-UHFFFAOYSA-N |
| Molecular Weight | 112.176 g/mol |
| SMILES | N(C(C)C)CCC#N |
| Spectrum/Structure Validation Score (Raman) | 0.9697 |