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1H-1,2,4-Triazole, 1-[[4-[3-(1,1-dimethylethyl)phenoxy]phenoxy]methyl]-
SpectraBase Compound ID CPHZAoVmfNz
InChI InChI=1S/C19H21N3O2/c1-19(2,3)15-5-4-6-18(11-15)24-17-9-7-16(8-10-17)23-14-22-13-20-12-21-22/h4-13H,14H2,1-3H3
InChIKey ZCWXYGATGMBNST-UHFFFAOYSA-N
Mol Weight 323.4 g/mol
Molecular Formula C19H21N3O2
Exact Mass 323.163377 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Io18S8yKPSr
Name 1H-1,2,4-Triazole, 1-[[4-[3-(1,1-dimethylethyl)phenoxy]phenoxy]methyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.163376926 u
Formula C19H21N3O2
InChI InChI=1S/C19H21N3O2/c1-19(2,3)15-5-4-6-18(11-15)24-17-9-7-16(8-10-17)23-14-22-13-20-12-21-22/h4-13H,14H2,1-3H3
InChIKey ZCWXYGATGMBNST-UHFFFAOYSA-N
Molecular Weight 323.396 g/mol
SMILES C1(OC=2C=CC(=CC2)OCN2N=CN=C2)=CC=CC(=C1)C(C)(C)C