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2-{3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,2,4-triazol-5-yl}phenol
SpectraBase Compound ID LSiPvn2lFm7
InChI InChI=1S/C25H30N4O3/c1-31-22-12-10-19(18-23(22)32-2)11-13-24-26-25(20-8-4-5-9-21(20)30)29(27-24)17-16-28-14-6-3-7-15-28/h4-5,8-13,18,30H,3,6-7,14-17H2,1-2H3/b13-11+
InChIKey PUQXAOTZGXKESZ-ACCUITESSA-N
Mol Weight 434.54 g/mol
Molecular Formula C25H30N4O3
Exact Mass 434.231791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Js5KRBGyif9
Name 2-{3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1-[2-(piperidin-1-yl)ethyl]-1H-1,2,4-triazol-5-yl}phenol
Alternate Name(s) Phenol, 2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]-1-[2-(1-piperidinyl)ethyl]-1H-1,2,4-triazol-5-yl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30N4O3
InChI InChI=1S/C25H30N4O3/c1-31-22-12-10-19(18-23(22)32-2)11-13-24-26-25(20-8-4-5-9-21(20)30)29(27-24)17-16-28-14-6-3-7-15-28/h4-5,8-13,18,30H,3,6-7,14-17H2,1-2H3/b13-11+
InChIKey PUQXAOTZGXKESZ-ACCUITESSA-N
Molecular Weight 434.540 g/mol
SMILES Oc1c(cccc1)-c1[n](nc(n1)\C=C\c1cc(c(cc1)OC)OC)CCN1CCCCC1
SPLASH splash10-0002-9200000000-40c5049469a537fc0b1b
Source of Spectrum IY-2-4978-3
Wiley ID 1657766