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(E)-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile
SpectraBase Compound ID 1nabSRLWNl3
InChI InChI=1S/C26H20N2O3S/c1-30-25-14-19(11-12-24(25)31-16-18-7-3-2-4-8-18)13-20(15-27)26-28-22(17-32-26)21-9-5-6-10-23(21)29/h2-14,17,29H,16H2,1H3/b20-13+
InChIKey WJXMSTCKGYOMFX-DEDYPNTBSA-N
Mol Weight 440.52 g/mol
Molecular Formula C26H20N2O3S
Exact Mass 440.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID If1EcdbITjR
Name (E)-2-[4-(2-Hydroxyphenyl)-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.119463683 u
Formula C26H20N2O3S
InChI InChI=1S/C26H20N2O3S/c1-30-25-14-19(11-12-24(25)31-16-18-7-3-2-4-8-18)13-20(15-27)26-28-22(17-32-26)21-9-5-6-10-23(21)29/h2-14,17,29H,16H2,1H3/b20-13+
InChIKey WJXMSTCKGYOMFX-DEDYPNTBSA-N
Molecular Weight 440.517 g/mol
SMILES C1=CC=C(COC2=CC=C(\C=C\(C3=NC(=CS3)C3=C(O)C=CC=C3)C#N)C=C2OC)C=C1