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1-[5-[2-(2-chloro-benzyloxy)-3-methoxy-phenyl]-1,4-di-p-tolyl-4,5-dihydro-1H-[1,2,4]triazol-3-yl]-ethanone
SpectraBase Compound ID 1QxAg0Leree
InChI InChI=1S/C32H30ClN3O3/c1-21-12-16-25(17-13-21)35-31(23(3)37)34-36(26-18-14-22(2)15-19-26)32(35)27-9-7-11-29(38-4)30(27)39-20-24-8-5-6-10-28(24)33/h5-19,32H,20H2,1-4H3
InChIKey KEHGEIRMBFQWGN-UHFFFAOYSA-N
Mol Weight 540.1 g/mol
Molecular Formula C32H30ClN3O3
Exact Mass 539.19757 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7WyIYq4iKIM
Name ethanone, 1-[5-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1,4-bis(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 539.197569535 u
Formula C32H30ClN3O3
InChI InChI=1S/C32H30ClN3O3/c1-21-12-16-25(17-13-21)35-31(23(3)37)34-36(26-18-14-22(2)15-19-26)32(35)27-9-7-11-29(38-4)30(27)39-20-24-8-5-6-10-28(24)33/h5-19,32H,20H2,1-4H3
InChIKey KEHGEIRMBFQWGN-UHFFFAOYSA-N
Molecular Weight 540.063 g/mol
NMR Offset 17.7217
NMR Spectrometer Frequency 500.132
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11091
Solvent CDCl3
Source Vendor ID: NMR/10251343; Lab Info: LP; Lab Number: LP-3902057