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6-(4-((4-(4-hydroxybutyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)hex-5-yn-1-ol

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

6-(4-((4-(4-hydroxybutyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)hex-5-yn-1-ol
SpectraBase Compound ID KL5YjCEUvtr
InChI InChI=1S/C19H25N3O2/c23-13-5-2-1-3-7-17-9-11-18(12-10-17)15-22-16-19(20-21-22)8-4-6-14-24/h9-12,16,23-24H,1-2,4-6,8,13-15H2
InChIKey PCKGKUJDASKOAK-UHFFFAOYSA-N
Mol Weight 327.43 g/mol
Molecular Formula C19H25N3O2
Exact Mass 327.194677 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eltzLco76x
Name 6-(4-((4-(4-Hydroxybutyl)-1H-1,2,3-triazol-1-yl)methyl)phenyl)hex-5-yn-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 327.194677055 u
Formula C19H25N3O2
InChI InChI=1S/C19H25N3O2/c23-13-5-2-1-3-7-17-9-11-18(12-10-17)15-22-16-19(20-21-22)8-4-6-14-24/h9-12,16,23-24H,1-2,4-6,8,13-15H2
InChIKey PCKGKUJDASKOAK-UHFFFAOYSA-N
Molecular Weight 327.428 g/mol
SMILES C(N1N=NC(=C1)CCCCO)C=1C=CC(C#CCCCCO)=CC1