SpectraBase Compound ID | 2mln4pn4A4h |
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InChI | InChI=1S/C5H12N2O.2ClH/c6-1-5(2-7)3-8-4-5;;/h1-4,6-7H2;2*1H |
InChIKey | POPWYXVILDNQQS-UHFFFAOYSA-N |
Mol Weight | 189.09 g/mol |
Molecular Formula | C5H14Cl2N2O |
Exact Mass | 188.048318 g/mol |
SpectraBase Spectrum ID | HynETcGRXjA |
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Name | 3,3-Oxetanebis(methylamine), dihydrochloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.048318478 u |
Formula | C5H14Cl2N2O |
InChI | InChI=1S/C5H12N2O.2ClH/c6-1-5(2-7)3-8-4-5;;/h1-4,6-7H2;2*1H |
InChIKey | POPWYXVILDNQQS-UHFFFAOYSA-N |
Molecular Weight | 189.086 g/mol |
SMILES | Cl.NCC1(CN)COC1.Cl |
Spectrum/Structure Validation Score (Raman) | 0.913852 |