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2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID APtgaIaI9LK
InChI InChI=1S/C21H17F3N4O2S/c1-3-14(25-12-8-10-13(30-2)11-9-12)17-18(21(22,23)24)27-28(19(17)29)20-26-15-6-4-5-7-16(15)31-20/h4-11,27H,3H2,1-2H3/b25-14+
InChIKey LVIVRHLTRAQGTI-AFUMVMLFSA-N
Mol Weight 446.45 g/mol
Molecular Formula C21H17F3N4O2S
Exact Mass 446.102431 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8uzMmc822Sj
Name 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxyphenyl)propanimidoyl]-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/C21H17F3N4O2S/c1-3-14(25-12-8-10-13(30-2)11-9-12)17-18(21(22,23)24)27-28(19(17)29)20-26-15-6-4-5-7-16(15)31-20/h4-11,27H,3H2,1-2H3/b25-14+
InChIKey LVIVRHLTRAQGTI-AFUMVMLFSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_232
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: 602032VOR8-8569; Labnumber: 602032VOR8-8569; VK_ID: VK-000233
Synonyms 2-(1,3-benzothiazol-2-yl)-4-[N-(4-methoxyphenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 308 °C