SpectraBase Compound ID | G1JRZemv0sL |
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InChI | InChI=1S/C10H21NO/c1-8(2)6-10(12)11(5)7-9(3)4/h8-9H,6-7H2,1-5H3 |
InChIKey | XLKUZAHQKODXIC-UHFFFAOYSA-N |
Mol Weight | 171.28 g/mol |
Molecular Formula | C10H21NO |
Exact Mass | 171.162314 g/mol |
SpectraBase Spectrum ID | 36enYgKhWS2 |
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Name | N-Isobutyl-3-methylbutanamide, 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(2)6-10(12)11(5)7-9(3)4/h8-9H,6-7H2,1-5H3 |
InChIKey | XLKUZAHQKODXIC-UHFFFAOYSA-N |
Molecular Weight | 171.284 g/mol |
SMILES | C(N(C(=O)CC(C)C)C)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875655 |