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4-Methyl-1-pyridin-3-yl-pent-2-yne-1,4-diol

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

4-Methyl-1-pyridin-3-yl-pent-2-yne-1,4-diol
SpectraBase Compound ID L1tSYDkouzl
InChI InChI=1S/C11H13NO2/c1-11(2,14)6-5-10(13)9-4-3-7-12-8-9/h3-4,7-8,10,13-14H,1-2H3
InChIKey OXFJFKPRALEILQ-UHFFFAOYSA-N
Mol Weight 191.23 g/mol
Molecular Formula C11H13NO2
Exact Mass 191.094629 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID J46m78G8RsY
Name 4-Methyl-1-pyridin-3-yl-pent-2-yne-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.094628661 u
Formula C11H13NO2
InChI InChI=1S/C11H13NO2/c1-11(2,14)6-5-10(13)9-4-3-7-12-8-9/h3-4,7-8,10,13-14H,1-2H3
InChIKey OXFJFKPRALEILQ-UHFFFAOYSA-N
Molecular Weight 191.230 g/mol
SMILES C(#CC(O)(C)C)C(C1=CN=CC=C1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.856395