SpectraBase Compound ID | EJI2tb2gOFT |
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InChI | InChI=1S/C14H29NO/c1-5-8-9-12-14(10-6-2,11-7-3)15-13(4)16/h5-12H2,1-4H3,(H,15,16) |
InChIKey | PFYDQYLLRRTHIB-UHFFFAOYSA-N |
Mol Weight | 227.39 g/mol |
Molecular Formula | C14H29NO |
Exact Mass | 227.224915 g/mol |
SpectraBase Spectrum ID | 2FL5zAqi1Cb |
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Name | 4-Acetamido-4-propylnonane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 227.224914557 u |
Formula | C14H29NO |
InChI | InChI=1S/C14H29NO/c1-5-8-9-12-14(10-6-2,11-7-3)15-13(4)16/h5-12H2,1-4H3,(H,15,16) |
InChIKey | PFYDQYLLRRTHIB-UHFFFAOYSA-N |
Molecular Weight | 227.392 g/mol |
SMILES | CCCC(CCCCC)(NC(=O)C)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963304 |