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ethyl (7E)-2-(acetylamino)-7-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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ethyl (7E)-2-(acetylamino)-7-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID A5QyeKEsFxK
InChI InChI=1S/C18H20ClN5O4S/c1-4-28-18(27)13-10-6-5-7-12(15(10)29-17(13)21-9(2)25)22-23-16(26)14-11(19)8-20-24(14)3/h8H,4-7H2,1-3H3,(H,21,25)(H,23,26)/b22-12+
InChIKey JSEKSADAFIDLCQ-WSDLNYQXSA-N
Mol Weight 437.9 g/mol
Molecular Formula C18H20ClN5O4S
Exact Mass 437.092453 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5wUrF1OxOx
Name ethyl (7E)-2-(acetylamino)-7-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C18H20ClN5O4S/c1-4-28-18(27)13-10-6-5-7-12(15(10)29-17(13)21-9(2)25)22-23-16(26)14-11(19)8-20-24(14)3/h8H,4-7H2,1-3H3,(H,21,25)(H,23,26)/b22-12+
InChIKey JSEKSADAFIDLCQ-WSDLNYQXSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14347
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/1014429; UBI_ID: UBI-014350
Synonyms ethyl 2-(acetylamino)-7-{[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]hydrazono}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 308 °C