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(4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(tetrahydro-2-furanylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 1LyTp5r3haM
InChI InChI=1S/C23H21ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-2,5-10,13,16,25H,3-4,11-12,14H2/b18-13+
InChIKey HMKRYJBNMFBJNS-QGOAFFKASA-N
Mol Weight 485.02 g/mol
Molecular Formula C23H21ClN4O2S2
Exact Mass 484.079446 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GDsazws9m52
Name (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(tetrahydro-2-furanylmethyl)amino]methylene}-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/C23H21ClN4O2S2/c24-15-7-9-17(10-8-15)31-14-20-18(13-25-12-16-4-3-11-30-16)22(29)28(27-20)23-26-19-5-1-2-6-21(19)32-23/h1-2,5-10,13,16,25H,3-4,11-12,14H2/b18-13+
InChIKey HMKRYJBNMFBJNS-QGOAFFKASA-N
NMR Offset 16.0772
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_17021
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/9025421; UBI_ID: UBI-017024
Synonyms 2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{[(tetrahydro-2-furanylmethyl)amino]methylene}-2,4-dihydro-3H-pyrazol-3-one
Temperature 313 °C