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2-{[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]sulfanyl}-1,3-benzothiazole
SpectraBase Compound ID FGWZ7rnaQdd
InChI InChI=1S/C18H15N3OS2/c22-17(12-23-18-20-14-8-4-5-9-16(14)24-18)21-15(10-11-19-21)13-6-2-1-3-7-13/h1-9,11,15H,10,12H2
InChIKey OAEXTJJNNIMJEI-UHFFFAOYSA-N
Mol Weight 353.46 g/mol
Molecular Formula C18H15N3OS2
Exact Mass 353.065654 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BwNtqTqRBTN
Name 2-{[2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl]sulfanyl}-1,3-benzothiazole
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/C18H15N3OS2/c22-17(12-23-18-20-14-8-4-5-9-16(14)24-18)21-15(10-11-19-21)13-6-2-1-3-7-13/h1-9,11,15H,10,12H2
InChIKey OAEXTJJNNIMJEI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9233
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: D52835; Labnumber: VGU-30228; SBI_ID: SBI-009236
Synonyms 1,3-benzothiazol-2-yl 2-oxo-2-(5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethyl sulfide
Temperature 318 °C