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SpectraBase Compound ID | 5yXlGoCxic1 |
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InChI | InChI=1S/C14H31NO2/c1-5-9-11-14(15,12-10-6-2)13(16-7-3)17-8-4/h13H,5-12,15H2,1-4H3 |
InChIKey | FITMZGXQZPPYQN-UHFFFAOYSA-N |
Mol Weight | 245.41 g/mol |
Molecular Formula | C14H31NO2 |
Exact Mass | 245.235479 g/mol |
SpectraBase Spectrum ID | B1nQ3KjKDtH |
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Name | 1,1-Diethoxy-2-amino-2-N-butylhexane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 245.235479240 u |
Formula | C14H31NO2 |
InChI | InChI=1S/C14H31NO2/c1-5-9-11-14(15,12-10-6-2)13(16-7-3)17-8-4/h13H,5-12,15H2,1-4H3 |
InChIKey | FITMZGXQZPPYQN-UHFFFAOYSA-N |
Molecular Weight | 245.407 g/mol |
SMILES | C(C(CCCC)(CCCC)N)(OCC)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948424 |