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1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-4-ium chloride
SpectraBase Compound ID 7t6iq8UiRfh
InChI InChI=1S/C29H26F4N4S2.ClH/c30-22-9-6-20(7-10-22)23-19-38-28(34-23)36-16-14-35(15-17-36)12-3-13-37-24-4-1-2-5-26(24)39-27-11-8-21(18-25(27)37)29(31,32)33;/h1-2,4-11,18-19H,3,12-17H2;1H
InChIKey AQQZUUNPFRIEEF-UHFFFAOYSA-N
Mol Weight 607.13 g/mol
Molecular Formula C29H27ClF4N4S2
Exact Mass 606.13018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BT7fCWbHmKu
Name piperazinium, 1-[4-(4-fluorophenyl)-2-thiazolyl]-4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-, chloride
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 606.130179585 u
Formula C29H27ClF4N4S2
InChI InChI=1S/C29H26F4N4S2.ClH/c30-22-9-6-20(7-10-22)23-19-38-28(34-23)36-16-14-35(15-17-36)12-3-13-37-24-4-1-2-5-26(24)39-27-11-8-21(18-25(27)37)29(31,32)33;/h1-2,4-11,18-19H,3,12-17H2;1H
InChIKey AQQZUUNPFRIEEF-UHFFFAOYSA-N
Molecular Weight 607.130 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5807
Solvent DMSO-d6
Source Vendor ID: NMR/9312724; Lab Info: LP; Lab Number: LP-2191562