SpectraBase Compound ID | FFbejhZKK1S |
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InChI | InChI=1S/C7H16N2O/c1-2-3-5-9-6-4-7(8)10/h9H,2-6H2,1H3,(H2,8,10) |
InChIKey | XQVFSQZADCUSDH-UHFFFAOYSA-N |
Mol Weight | 144.22 g/mol |
Molecular Formula | C7H16N2O |
Exact Mass | 144.126263 g/mol |
SpectraBase Spectrum ID | J8bSUk5GOiS |
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Name | 3-(Butylamino)propionamide; propanamide, 3-(butylamino)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 144.126263142 u |
Formula | C7H16N2O |
InChI | InChI=1S/C7H16N2O/c1-2-3-5-9-6-4-7(8)10/h9H,2-6H2,1H3,(H2,8,10) |
InChIKey | XQVFSQZADCUSDH-UHFFFAOYSA-N |
SMILES | N(CCCC)CCC(N)=O |
Spectrum/Structure Validation Score (Raman) | 0.885573 |