SpectraBase Compound ID | 4Hz9EiVTGSH |
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InChI | InChI=1S/C10H21NO/c1-8(6-9(12)11-5)7-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12) |
InChIKey | LNJVUXGLVYQWLB-UHFFFAOYSA-N |
Mol Weight | 171.28 g/mol |
Molecular Formula | C10H21NO |
Exact Mass | 171.162314 g/mol |
SpectraBase Spectrum ID | GITfgZvPRzn |
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Name | Hexanamide, 3,5,5-trimethyl-N-methyl- |
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/c1-8(6-9(12)11-5)7-10(2,3)4/h8H,6-7H2,1-5H3,(H,11,12) |
InChIKey | LNJVUXGLVYQWLB-UHFFFAOYSA-N |
Molecular Weight | 171.284 g/mol |
SMILES | C(=O)(NC)CC(CC(C)(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969857 |