SpectraBase Compound ID | 4KYKC4mky4T |
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InChI | InChI=1S/C7H14N2O/c1-6(10)5-7(8-2)9(3)4/h5,8H,1-4H3/b7-5- |
InChIKey | FEYBJKWMVHCSRG-ALCCZGGFSA-N |
Mol Weight | 142.2 g/mol |
Molecular Formula | C7H14N2O |
Exact Mass | 142.110613 g/mol |
SpectraBase Spectrum ID | 1jneQaFpY3j |
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Name | 3-Buten-2-one, 4-(dimethylamino)-4-(methylamino)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 142.110613078 u |
Formula | C7H14N2O |
InChI | InChI=1S/C7H14N2O/c1-6(10)5-7(8-2)9(3)4/h5,8H,1-4H3/b7-5- |
InChIKey | FEYBJKWMVHCSRG-ALCCZGGFSA-N |
Molecular Weight | 142.202 g/mol |
SMILES | CN\C(=C\C(C)=O)N(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805804 |