SpectraBase Compound ID | 4atgJVZBZhp |
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InChI | InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3 |
InChIKey | ILWGOCDXJYCPQQ-UHFFFAOYSA-N |
Mol Weight | 141.21 g/mol |
Molecular Formula | C8H15NO |
Exact Mass | 141.115364 g/mol |
SpectraBase Spectrum ID | K28PVn5vIKU |
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Name | 5-(Dimethylamino)-2-methyl-1-penten-3-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.115364106 u |
Formula | C8H15NO |
InChI | InChI=1S/C8H15NO/c1-7(2)8(10)5-6-9(3)4/h1,5-6H2,2-4H3 |
InChIKey | ILWGOCDXJYCPQQ-UHFFFAOYSA-N |
Molecular Weight | 141.214 g/mol |
SMILES | C(C(=C)C)(CCN(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.871513 |