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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one

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(4E)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 2ai9KvT0rLH
InChI InChI=1S/C15H12F3N3O2S/c1-3-23-8(2)11-12(15(16,17)18)20-21(13(11)22)14-19-9-6-4-5-7-10(9)24-14/h4-7H,3H2,1-2H3/b11-8+
InChIKey XTWRJKHORVDTJN-DHZHZOJOSA-N
Mol Weight 355.34 g/mol
Molecular Formula C15H12F3N3O2S
Exact Mass 355.060232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DIANPut76Hi
Name (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(trifluoromethyl)-2,4-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/C15H12F3N3O2S/c1-3-23-8(2)11-12(15(16,17)18)20-21(13(11)22)14-19-9-6-4-5-7-10(9)24-14/h4-7H,3H2,1-2H3/b11-8+
InChIKey XTWRJKHORVDTJN-DHZHZOJOSA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15907
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/8051043; UBI_ID: UBI-015910
Synonyms 2-(1,3-benzothiazol-2-yl)-4-(1-ethoxyethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C