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ethyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-5-methoxy-1H-indole-2-carboxylate
SpectraBase Compound ID 2XGfde7W6VD
InChI InChI=1S/C31H33ClN4O4/c1-3-40-31(38)29-28(25-19-24(39-2)13-14-26(25)33-29)34-27(37)20-35-15-17-36(18-16-35)30(21-7-5-4-6-8-21)22-9-11-23(32)12-10-22/h4-14,19,30,33H,3,15-18,20H2,1-2H3,(H,34,37)
InChIKey GJTJOZKLPQIVQJ-UHFFFAOYSA-N
Mol Weight 561.1 g/mol
Molecular Formula C31H33ClN4O4
Exact Mass 560.219033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KNH1uwRltyz
Name ethyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-5-methoxy-1H-indole-2-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C31H33ClN4O4/c1-3-40-31(38)29-28(25-19-24(39-2)13-14-26(25)33-29)34-27(37)20-35-15-17-36(18-16-35)30(21-7-5-4-6-8-21)22-9-11-23(32)12-10-22/h4-14,19,30,33H,3,15-18,20H2,1-2H3,(H,34,37)
InChIKey GJTJOZKLPQIVQJ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21820
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D55790; Labnumber: Simak-01694; SBI_ID: SBI-021824
Temperature 315 °C