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4-[4-(3-fluoro-4-methoxybenzyl)-1-piperazinyl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
SpectraBase Compound ID 448N9h7AwJy
InChI InChI=1S/C19H21F4N5O3S/c1-31-14-3-2-12(10-13(14)20)11-27-6-8-28(9-7-27)16(30)5-4-15(29)24-18-26-25-17(32-18)19(21,22)23/h2-3,10H,4-9,11H2,1H3,(H,24,26,29)
InChIKey LIFDDMPEIDLOGC-UHFFFAOYSA-N
Mol Weight 475.46 g/mol
Molecular Formula C19H21F4N5O3S
Exact Mass 475.130123 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KSTXMrVolz8
Name 4-[4-(3-fluoro-4-methoxybenzyl)-1-piperazinyl]-4-oxo-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]butanamide
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/C19H21F4N5O3S/c1-31-14-3-2-12(10-13(14)20)11-27-6-8-28(9-7-27)16(30)5-4-15(29)24-18-26-25-17(32-18)19(21,22)23/h2-3,10H,4-9,11H2,1H3,(H,24,26,29)
InChIKey LIFDDMPEIDLOGC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11570
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: E07191; Labnumber: GRESKO-7694; SBI_ID: SBI-011573
Temperature 306 °C