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methyl 3-chloro-6-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]amino}-1-benzothiophene-2-carboxylate
SpectraBase Compound ID w4Tr4lpBH9
InChI InChI=1S/C19H19Cl2N3O3S/c1-5-13(24-10(3)15(20)9(2)23-24)18(25)22-11-6-7-12-14(8-11)28-17(16(12)21)19(26)27-4/h6-8,13H,5H2,1-4H3,(H,22,25)
InChIKey SMHRKIXISOAKOK-UHFFFAOYSA-N
Mol Weight 440.35 g/mol
Molecular Formula C19H19Cl2N3O3S
Exact Mass 439.052418 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID q0IU3RcmE1
Name methyl 3-chloro-6-{[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)butanoyl]amino}-1-benzothiophene-2-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/C19H19Cl2N3O3S/c1-5-13(24-10(3)15(20)9(2)23-24)18(25)22-11-6-7-12-14(8-11)28-17(16(12)21)19(26)27-4/h6-8,13H,5H2,1-4H3,(H,22,25)
InChIKey SMHRKIXISOAKOK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30012
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: 1538403; SBI_ID: SBI-030016
Temperature 318 °C