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2-(1,3-Benzothiazol-2-yl)-5-phenyl-4-[N-(2,2,6,6-tetramethyl-4-piperidinyl)ethanimidoyl]-1,2-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID EqQfbWi0aL9
InChI InChI=1S/C27H31N5OS/c1-17(28-19-15-26(2,3)31-27(4,5)16-19)22-23(18-11-7-6-8-12-18)30-32(24(22)33)25-29-20-13-9-10-14-21(20)34-25/h6-14,19,30-31H,15-16H2,1-5H3/b28-17+
InChIKey ZPNVKONZOMKOCC-OGLMXYFKSA-N
Mol Weight 473.64 g/mol
Molecular Formula C27H31N5OS
Exact Mass 473.224932 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8P2IfoFNOZx
Name 3H-pyrazol-3-one, 2-(2-benzothiazolyl)-1,2-dihydro-5-phenyl-4-[(1E)-1-[(2,2,6,6-tetramethyl-4-piperidinyl)imino]ethyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.224931811 u
Formula C27H31N5OS
InChI InChI=1S/C27H31N5OS/c1-17(28-19-15-26(2,3)31-27(4,5)16-19)22-23(18-11-7-6-8-12-18)30-32(24(22)33)25-29-20-13-9-10-14-21(20)34-25/h6-14,19,30-31H,15-16H2,1-5H3/b28-17+
InChIKey ZPNVKONZOMKOCC-OGLMXYFKSA-N
Molecular Weight 473.639 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12889
Solvent DMSO-d6
Source Vendor ID: NMR/10260081; Lab Info: PRE; Lab Number: PRE-vgy12001