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methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-1H-indole-2-carboxylate
SpectraBase Compound ID 2kltdHeVR97
InChI InChI=1S/C29H29ClN4O3/c1-37-29(36)27-26(23-9-5-6-10-24(23)31-27)32-25(35)19-33-15-17-34(18-16-33)28(20-7-3-2-4-8-20)21-11-13-22(30)14-12-21/h2-14,28,31H,15-19H2,1H3,(H,32,35)
InChIKey XSTRPVSRISMEHZ-UHFFFAOYSA-N
Mol Weight 517.03 g/mol
Molecular Formula C29H29ClN4O3
Exact Mass 516.192819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EaH99xW0nv7
Name methyl 3-[({4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}acetyl)amino]-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/C29H29ClN4O3/c1-37-29(36)27-26(23-9-5-6-10-24(23)31-27)32-25(35)19-33-15-17-34(18-16-33)28(20-7-3-2-4-8-20)21-11-13-22(30)14-12-21/h2-14,28,31H,15-19H2,1H3,(H,32,35)
InChIKey XSTRPVSRISMEHZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11806
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: D64055; Labnumber: SIMAK-01759; SBI_ID: SBI-011809
Temperature 318 °C