SpectraBase Compound ID | 7n0k3MfPJhN |
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InChI | InChI=1S/C9H18N2O/c1-3-10(4-2)8-11-7-5-6-9(11)12/h3-8H2,1-2H3 |
InChIKey | HUGKEFTYFAIGMJ-UHFFFAOYSA-N |
Mol Weight | 170.26 g/mol |
Molecular Formula | C9H18N2O |
Exact Mass | 170.141913 g/mol |
SpectraBase Spectrum ID | KQxREsxDwXn |
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Name | 1-(Diethylaminomethyl)-2-pyrrolidone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 170.141913207 u |
Formula | C9H18N2O |
InChI | InChI=1S/C9H18N2O/c1-3-10(4-2)8-11-7-5-6-9(11)12/h3-8H2,1-2H3 |
InChIKey | HUGKEFTYFAIGMJ-UHFFFAOYSA-N |
Molecular Weight | 170.256 g/mol |
SMILES | C1(N(CCC1)CN(CC)CC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967275 |