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1-[(4-methoxyphenyl)ethynyl]-2-({[(2E)-3-phenylprop-2-en-1-yl]oxy}methyl)-benzene
SpectraBase Compound ID 6FiPg8ZSNQR
InChI InChI=1S/C25H22O2/c1-26-25-17-14-22(15-18-25)13-16-23-11-5-6-12-24(23)20-27-19-7-10-21-8-3-2-4-9-21/h2-12,14-15,17-18H,19-20H2,1H3/b10-7+
InChIKey DSYMTZGAZKTRJH-JXMROGBWSA-N
Mol Weight 354.45 g/mol
Molecular Formula C25H22O2
Exact Mass 354.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FmNjJQemIKv
Name 1-[(4-Methoxyphenyl)ethynyl]-2-({[(2E)-3-phenylprop-2-en-1-yl]oxy}methyl)-benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.161979946 u
Formula C25H22O2
InChI InChI=1S/C25H22O2/c1-26-25-17-14-22(15-18-25)13-16-23-11-5-6-12-24(23)20-27-19-7-10-21-8-3-2-4-9-21/h2-12,14-15,17-18H,19-20H2,1H3/b10-7+
InChIKey DSYMTZGAZKTRJH-JXMROGBWSA-N
Molecular Weight 354.449 g/mol
SMILES C=1(C(=CC=CC1)COC\C=C\C=1C=CC=CC1)C#CC=1C=CC(=CC1)OC