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1-(1-{2-[2-methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
SpectraBase Compound ID IeEbU6R5pOR
InChI InChI=1S/C22H26N2O3/c1-4-8-16-11-12-20(21(15-16)26-3)27-14-13-24-18-10-7-6-9-17(18)23-22(24)19(25)5-2/h4,6-7,9-12,15,19,25H,1,5,8,13-14H2,2-3H3
InChIKey QAYBULBFUYICGL-UHFFFAOYSA-N
Mol Weight 366.46 g/mol
Molecular Formula C22H26N2O3
Exact Mass 366.194343 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2POiQ6fyGRl
Name 1-(1-{2-[2-Methoxy-4-(prop-2-en-1-yl)phenoxy]ethyl}-1H-1,3-benzodiazol-2-yl)propan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.194342702 u
Formula C22H26N2O3
InChI InChI=1S/C22H26N2O3/c1-4-8-16-11-12-20(21(15-16)26-3)27-14-13-24-18-10-7-6-9-17(18)23-22(24)19(25)5-2/h4,6-7,9-12,15,19,25H,1,5,8,13-14H2,2-3H3
InChIKey QAYBULBFUYICGL-UHFFFAOYSA-N
Molecular Weight 366.461 g/mol
SMILES C1=CC=C2N(CCOC3=CC=C(C=C3OC)CC=C)C(=NC2=C1)C(O)CC