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5-thiazolecarboxylic acid, 2-[(4E)-4-[[3-chloro-4-(2-propynyloxy)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-methyl-, ethyl ester

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5-thiazolecarboxylic acid, 2-[(4E)-4-[[3-chloro-4-(2-propynyloxy)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-methyl-, ethyl ester
SpectraBase Compound ID 9lxAZnAnezg
InChI InChI=1S/C21H18ClN3O4S/c1-5-9-29-17-8-7-14(11-16(17)22)10-15-12(3)24-25(19(15)26)21-23-13(4)18(30-21)20(27)28-6-2/h1,7-8,10-11H,6,9H2,2-4H3/b15-10+
InChIKey MQFHSBQXENQVSU-XNTDXEJSSA-N
Mol Weight 443.91 g/mol
Molecular Formula C21H18ClN3O4S
Exact Mass 443.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3peYyl3wyAV
Name 5-thiazolecarboxylic acid, 2-[(4E)-4-[[3-chloro-4-(2-propynyloxy)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-methyl-, ethyl ester
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/C21H18ClN3O4S/c1-5-9-29-17-8-7-14(11-16(17)22)10-15-12(3)24-25(19(15)26)21-23-13(4)18(30-21)20(27)28-6-2/h1,7-8,10-11H,6,9H2,2-4H3/b15-10+
InChIKey MQFHSBQXENQVSU-XNTDXEJSSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6960
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: NMR/12228865