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1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(5-phenoxypentyl)-

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1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(5-phenoxypentyl)-
SpectraBase Compound ID 4cAhKLCsmAz
InChI InChI=1S/C19H29N3O2/c1-19(2,3)18(23)17(22-15-20-14-21-22)12-8-5-9-13-24-16-10-6-4-7-11-16/h4,6-7,10-11,14-15,17-18,23H,5,8-9,12-13H2,1-3H3
InChIKey MGVQRBGVIHLSEV-UHFFFAOYSA-N
Mol Weight 331.46 g/mol
Molecular Formula C19H29N3O2
Exact Mass 331.225977 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IBif5Y50wIH
Name 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(5-phenoxypentyl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.225977184 u
Formula C19H29N3O2
InChI InChI=1S/C19H29N3O2/c1-19(2,3)18(23)17(22-15-20-14-21-22)12-8-5-9-13-24-16-10-6-4-7-11-16/h4,6-7,10-11,14-15,17-18,23H,5,8-9,12-13H2,1-3H3
InChIKey MGVQRBGVIHLSEV-UHFFFAOYSA-N
Molecular Weight 331.460 g/mol
SMILES OC(C(CCCCCOC=1C=CC=CC1)N1N=CN=C1)C(C)(C)C