SpectraBase Compound ID | Fkcx0dF9d4 |
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InChI | InChI=1S/C10H21NO/c1-5-7-10(4,8-6-2)11-9(3)12/h5-8H2,1-4H3,(H,11,12) |
InChIKey | YVPGRWAHCIYSSP-UHFFFAOYSA-N |
Mol Weight | 171.28 g/mol |
Molecular Formula | C10H21NO |
Exact Mass | 171.162314 g/mol |
SpectraBase Spectrum ID | If7ZyWIEspj |
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Name | 3-Acetamido-3-methylheptane |
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/c1-5-7-10(4,8-6-2)11-9(3)12/h5-8H2,1-4H3,(H,11,12) |
InChIKey | YVPGRWAHCIYSSP-UHFFFAOYSA-N |
Molecular Weight | 171.284 g/mol |
SMILES | CCCC(C)(CCC)NC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952995 |