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2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-2-furylmethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID Bu8XwnvRNe4
InChI InChI=1S/C18H13F3N4O2S/c1-10(22-9-11-5-4-8-27-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-6-2-3-7-13(12)28-17/h2-8,24H,9H2,1H3/b22-10+
InChIKey MVFTWOHRPFEGJS-LSHDLFTRSA-N
Mol Weight 406.38 g/mol
Molecular Formula C18H13F3N4O2S
Exact Mass 406.071131 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JeOQfhzxBdc
Name 2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-2-furylmethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
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/C18H13F3N4O2S/c1-10(22-9-11-5-4-8-27-11)14-15(18(19,20)21)24-25(16(14)26)17-23-12-6-2-3-7-13(12)28-17/h2-8,24H,9H2,1H3/b22-10+
InChIKey MVFTWOHRPFEGJS-LSHDLFTRSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8424
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: 128388; Labnumber: VOR11-8921; VK_ID: VK-008428
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{N-[2-furylmethyl]ethanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 315 °C