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2,2-Dimethyl-7-morpholino-4-heptyn-3-ol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2,2-Dimethyl-7-morpholino-4-heptyn-3-ol
SpectraBase Compound ID HFjnIgQc3pC
InChI InChI=1S/C13H23NO2/c1-13(2,3)12(15)6-4-5-7-14-8-10-16-11-9-14/h12,15H,5,7-11H2,1-3H3
InChIKey PRCZCZSGZFYLAD-UHFFFAOYSA-N
Mol Weight 225.33 g/mol
Molecular Formula C13H23NO2
Exact Mass 225.172879 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6LLJ4BgBisY
Name 2,2-Dimethyl-7-morpholino-4-heptyn-3-ol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 225.172878983 u
Formula C13H23NO2
InChI InChI=1S/C13H23NO2/c1-13(2,3)12(15)6-4-5-7-14-8-10-16-11-9-14/h12,15H,5,7-11H2,1-3H3
InChIKey PRCZCZSGZFYLAD-UHFFFAOYSA-N
Molecular Weight 225.332 g/mol
SMILES C(#CCCN1CCOCC1)C(C(C)(C)C)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956787