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8-methyl-2-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SpectraBase Compound ID 7FjJPpjNjZ8
InChI InChI=1S/C25H27F3N4O/c1-17-5-6-22-20(13-17)21-15-32(8-7-23(21)29-22)24(33)16-30-9-11-31(12-10-30)19-4-2-3-18(14-19)25(26,27)28/h2-6,13-14,29H,7-12,15-16H2,1H3
InChIKey YPKBHMAMJWWHLF-UHFFFAOYSA-N
Mol Weight 456.51 g/mol
Molecular Formula C25H27F3N4O
Exact Mass 456.213696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8yRR52H3goH
Name 8-methyl-2-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}acetyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
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/C25H27F3N4O/c1-17-5-6-22-20(13-17)21-15-32(8-7-23(21)29-22)24(33)16-30-9-11-31(12-10-30)19-4-2-3-18(14-19)25(26,27)28/h2-6,13-14,29H,7-12,15-16H2,1H3
InChIKey YPKBHMAMJWWHLF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3991
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: 121045; Labnumber: SIMAK-00004; VK_ID: VK-003992
Temperature 318 °C