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1H-indole-3-carboxylic acid, 6-bromo-5-methoxy-1-phenyl-2-[(4-phenyl-1-piperazinyl)methyl]-, ethyl ester
SpectraBase Compound ID 83ZEOV7Lud
InChI InChI=1S/C29H30BrN3O3/c1-3-36-29(34)28-23-18-27(35-2)24(30)19-25(23)33(22-12-8-5-9-13-22)26(28)20-31-14-16-32(17-15-31)21-10-6-4-7-11-21/h4-13,18-19H,3,14-17,20H2,1-2H3
InChIKey GMZIRRZVGVIZKD-UHFFFAOYSA-N
Mol Weight 548.48 g/mol
Molecular Formula C29H30BrN3O3
Exact Mass 547.147055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Didl6QSdti2
Name 1H-indole-3-carboxylic acid, 6-bromo-5-methoxy-1-phenyl-2-[(4-phenyl-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 547.147054835 u
Formula C29H30BrN3O3
InChI InChI=1S/C29H30BrN3O3/c1-3-36-29(34)28-23-18-27(35-2)24(30)19-25(23)33(22-12-8-5-9-13-22)26(28)20-31-14-16-32(17-15-31)21-10-6-4-7-11-21/h4-13,18-19H,3,14-17,20H2,1-2H3
InChIKey GMZIRRZVGVIZKD-UHFFFAOYSA-N
Molecular Weight 548.481 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_463
Solvent DMSO-d6
Source Vendor ID: NMR/8305856; Lab Info: JMR; Lab Number: JMR-D001080
Temperature 29.85 °C