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6-Bromo-5-methoxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-3-benzofurancarboxylic acid ethyl ester
SpectraBase Compound ID KRbhnPBsXgk
InChI InChI=1S/C24H27BrN2O4/c1-4-30-24(28)23-17-13-21(29-3)18(25)14-20(17)31-22(23)15-26-9-11-27(12-10-26)19-8-6-5-7-16(19)2/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKey CSQQJNJFOOHFRI-UHFFFAOYSA-N
Mol Weight 487.39 g/mol
Molecular Formula C24H27BrN2O4
Exact Mass 486.11542 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GT4eWZwQ3Bc
Name 3-benzofurancarboxylic acid, 6-bromo-5-methoxy-2-[[4-(2-methylphenyl)-1-piperazinyl]methyl]-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.115420353 u
Formula C24H27BrN2O4
InChI InChI=1S/C24H27BrN2O4/c1-4-30-24(28)23-17-13-21(29-3)18(25)14-20(17)31-22(23)15-26-9-11-27(12-10-26)19-8-6-5-7-16(19)2/h5-8,13-14H,4,9-12,15H2,1-3H3
InChIKey CSQQJNJFOOHFRI-UHFFFAOYSA-N
Molecular Weight 487.394 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7717
Solvent DMSO-d6
Source Vendor ID: NMR/10231904; Lab Info: JMR; Lab Number: JMR-0001913