SpectraBase Compound ID | 29QRlXLN9Ln |
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InChI | InChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2 |
InChIKey | PREOONMJIVUPMI-UHFFFAOYSA-N |
Mol Weight | 117.15 g/mol |
Molecular Formula | C5H11NO2 |
Exact Mass | 117.078979 g/mol |
SpectraBase Spectrum ID | ENcJfdGVeeh |
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Name | p-Dioxane-2-methylamine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 117.078978596 u |
Formula | C5H11NO2 |
InChI | InChI=1S/C5H11NO2/c6-3-5-4-7-1-2-8-5/h5H,1-4,6H2 |
InChIKey | PREOONMJIVUPMI-UHFFFAOYSA-N |
Molecular Weight | 117.148 g/mol |
SMILES | C1OC(COC1)CN |
Spectrum/Structure Validation Score (Raman) | 0.859071 |