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ethyl 2-({3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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ethyl 2-({3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID APKAKitefOF
InChI InChI=1S/C23H23ClN4O5S/c1-2-33-23(30)19-16-9-4-3-5-10-18(16)34-22(19)25-21(29)15-8-6-7-14(11-15)12-27-13-17(24)20(26-27)28(31)32/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,25,29)
InChIKey NGNAUTBKLZKVSH-UHFFFAOYSA-N
Mol Weight 502.97 g/mol
Molecular Formula C23H23ClN4O5S
Exact Mass 502.107769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FoYsr3tbgzb
Name ethyl 2-({3-[(4-chloro-3-nitro-1H-pyrazol-1-yl)methyl]benzoyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-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/C23H23ClN4O5S/c1-2-33-23(30)19-16-9-4-3-5-10-18(16)34-22(19)25-21(29)15-8-6-7-14(11-15)12-27-13-17(24)20(26-27)28(31)32/h6-8,11,13H,2-5,9-10,12H2,1H3,(H,25,29)
InChIKey NGNAUTBKLZKVSH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16335
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/8103011; Labnumber: OLEG85-0000781; UZI_ID: UZI-016339
Temperature 318 °C