| SpectraBase Compound ID | 1gZ6i5MuiCO |
|---|---|
| InChI | InChI=1S/C8H18N2O/c1-5-7(3)10(9-11)8(4)6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | FXKDQKMIRMWEBC-UHFFFAOYSA-N |
| Mol Weight | 158.24 g/mol |
| Molecular Formula | C8H18N2O |
| Exact Mass | 158.141913 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | g0Ni6OCo4n |
|---|---|
| Name | 2-Butanamine, N-(1-methylpropyl)-N-nitroso- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.141913207 u |
| Formula | C8H18N2O |
| InChI | InChI=1S/C8H18N2O/c1-5-7(3)10(9-11)8(4)6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | FXKDQKMIRMWEBC-UHFFFAOYSA-N |
| Molecular Weight | 158.245 g/mol |
| SMILES | CCC(N(C(C)CC)N=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829504 |