![Propanenitrile, 3-[(4-aminobutyl)amino]-](/api/spectrum/DxZuMFgKLoY/structure.png?h=300&w=458 "Propanenitrile, 3-[(4-aminobutyl)amino]-")
| SpectraBase Compound ID | 9LBL9zFC8RB |
|---|---|
| InChI | InChI=1S/C7H15N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-4,6-8H2 |
| InChIKey | WLCNZYVOUPOLHO-UHFFFAOYSA-N |
| Mol Weight | 141.22 g/mol |
| Molecular Formula | C7H15N3 |
| Exact Mass | 141.126597 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DxZuMFgKLoY |
|---|---|
| Name | Propanenitrile, 3-[(4-aminobutyl)amino]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 141.126597495 u |
| Formula | C7H15N3 |
| InChI | InChI=1S/C7H15N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-4,6-8H2 |
| InChIKey | WLCNZYVOUPOLHO-UHFFFAOYSA-N |
| Molecular Weight | 141.218 g/mol |
| SMILES | C(#N)CCNCCCCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.992692 |