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4(Axial)ethyl-1-N-propyl-trans-decahydroquinol-4(equat)-ol

View entire compound with spectra: 1 FTIR

4(Axial)ethyl-1-N-propyl-trans-decahydroquinol-4(equat)-ol
SpectraBase Compound ID 3GhsfaSCFCs
InChI InChI=1S/C14H27NO/c1-3-10-15-11-9-14(16,4-2)12-7-5-6-8-13(12)15/h12-13,16H,3-11H2,1-2H3
InChIKey TVCOCKVVKFSIGT-UHFFFAOYSA-N
Mol Weight 225.38 g/mol
Molecular Formula C14H27NO
Exact Mass 225.209264 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D1RzbHlP0bq
Name 4(Axial)ethyl-1-N-propyl-trans-decahydroquinol-4(equat)-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.209264492 u
Formula C14H27NO
InChI InChI=1S/C14H27NO/c1-3-10-15-11-9-14(16,4-2)12-7-5-6-8-13(12)15/h12-13,16H,3-11H2,1-2H3
InChIKey TVCOCKVVKFSIGT-UHFFFAOYSA-N
Molecular Weight 225.376 g/mol
SMILES C1CCC2C(C1)N(CCC2(O)CC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926122