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1,5-dimethyl-2-phenyl-4-({(E)-[4-(3-thietanyloxy)phenyl]methylidene}amino)-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LacF1j85Kcg
InChI InChI=1S/C21H21N3O2S/c1-15-20(21(25)24(23(15)2)17-6-4-3-5-7-17)22-12-16-8-10-18(11-9-16)26-19-13-27-14-19/h3-12,19H,13-14H2,1-2H3/b22-12+
InChIKey RKKITANPVCJCPU-WSDLNYQXSA-N
Mol Weight 379.48 g/mol
Molecular Formula C21H21N3O2S
Exact Mass 379.135448 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 59f5vaSr5rL
Name 1,5-dimethyl-2-phenyl-4-({(E)-[4-(3-thietanyloxy)phenyl]methylidene}amino)-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/C21H21N3O2S/c1-15-20(21(25)24(23(15)2)17-6-4-3-5-7-17)22-12-16-8-10-18(11-9-16)26-19-13-27-14-19/h3-12,19H,13-14H2,1-2H3/b22-12+
InChIKey RKKITANPVCJCPU-WSDLNYQXSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4973
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: E12157; Labnumber: AREF2K-3359; SBI_ID: SBI-004975
Synonyms 1,5-dimethyl-2-phenyl-4-({[4-(3-thietanyloxy)phenyl]methylidene}amino)-1,2-dihydro-3H-pyrazol-3-one
Temperature 306 °C