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1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(3-phenylbutyl)-beta-2-propenyl-

View entire compound with spectra: 1 NMR, and 1 FTIR

1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(3-phenylbutyl)-beta-2-propenyl-
SpectraBase Compound ID Is4nlM0ItQ9
InChI InChI=1S/C21H31N3O/c1-6-13-21(19(25)20(3,4)5,24-16-22-15-23-24)14-12-17(2)18-10-8-7-9-11-18/h6-11,15-17,19,25H,1,12-14H2,2-5H3
InChIKey DPWGCERRQXWNDK-UHFFFAOYSA-N
Mol Weight 341.5 g/mol
Molecular Formula C21H31N3O
Exact Mass 341.246713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GxmKOkToVTi
Name 1H-1,2,4-Triazole-1-ethanol, alpha-(1,1-dimethylethyl)-beta-(3-phenylbutyl)-beta-2-propenyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 341.246712629 u
Formula C21H31N3O
InChI InChI=1S/C21H31N3O/c1-6-13-21(19(25)20(3,4)5,24-16-22-15-23-24)14-12-17(2)18-10-8-7-9-11-18/h6-11,15-17,19,25H,1,12-14H2,2-5H3
InChIKey DPWGCERRQXWNDK-UHFFFAOYSA-N
Molecular Weight 341.499 g/mol
SMILES OC(C(CCC(C1=CC=CC=C1)C)(N1N=CN=C1)CC=C)C(C)(C)C