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2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-tetrahydro-2-furanylmethyl]propanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one

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2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-tetrahydro-2-furanylmethyl]propanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 4OzHgraOcuz
InChI InChI=1S/C19H19F3N4O2S/c1-2-12(23-10-11-6-5-9-28-11)15-16(19(20,21)22)25-26(17(15)27)18-24-13-7-3-4-8-14(13)29-18/h3-4,7-8,11,25H,2,5-6,9-10H2,1H3/b23-12+
InChIKey ANCJRZGSDGEEPT-FSJBWODESA-N
Mol Weight 424.44 g/mol
Molecular Formula C19H19F3N4O2S
Exact Mass 424.118082 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8OVkxwhEjZp
Name 2-(1,3-benzothiazol-2-yl)-4-{(1E)-N-[(E)-tetrahydro-2-furanylmethyl]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/C19H19F3N4O2S/c1-2-12(23-10-11-6-5-9-28-11)15-16(19(20,21)22)25-26(17(15)27)18-24-13-7-3-4-8-14(13)29-18/h3-4,7-8,11,25H,2,5-6,9-10H2,1H3/b23-12+
InChIKey ANCJRZGSDGEEPT-FSJBWODESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8463
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: UZI/9030929; UBI_ID: UBI-008466
Synonyms 2-(1,3-benzothiazol-2-yl)-4-{N-[tetrahydro-2-furanylmethyl]propanimidoyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
Temperature 318 °C