SpectraBase Compound ID | IagmLIK8b1b |
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InChI | InChI=1S/C10H21NO/c1-5-7-11(8-9(3)4)10(12)6-2/h9H,5-8H2,1-4H3 |
InChIKey | YXEMOEKIMAPLSU-UHFFFAOYSA-N |
Mol Weight | 171.28 g/mol |
Molecular Formula | C10H21NO |
Exact Mass | 171.162314 g/mol |
SpectraBase Spectrum ID | 4G4pIgayl0m |
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Name | Propionamide, N-propyl-N-isobutyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 171.162314299 u |
Formula | C10H21NO |
InChI | InChI=1S/C10H21NO/c1-5-7-11(8-9(3)4)10(12)6-2/h9H,5-8H2,1-4H3 |
InChIKey | YXEMOEKIMAPLSU-UHFFFAOYSA-N |
Molecular Weight | 171.284 g/mol |
SMILES | C(N(CCC)CC(C)C)(=O)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966035 |