| SpectraBase Compound ID | bkNUAj0iIy |
|---|---|
| InChI | InChI=1S/C10H19BrN2/c1-5-13(6-2)9(7-12)10(11)8(3)4/h8-10H,5-6H2,1-4H3 |
| InChIKey | PXEIGEBQJBTBRR-UHFFFAOYSA-N |
| Mol Weight | 247.18 g/mol |
| Molecular Formula | C10H19BrN2 |
| Exact Mass | 246.073162 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1cimYz0BzgD |
|---|---|
| Name | 3-Bromo-2-(diethylamino)-4-methylpentanenitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.073161620 u |
| Formula | C10H19BrN2 |
| InChI | InChI=1S/C10H19BrN2/c1-5-13(6-2)9(7-12)10(11)8(3)4/h8-10H,5-6H2,1-4H3 |
| InChIKey | PXEIGEBQJBTBRR-UHFFFAOYSA-N |
| Molecular Weight | 247.180 g/mol |
| SMILES | C(Br)(C(N(CC)CC)C#N)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899385 |