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6-{[3,5-bis(ethoxycarbonyl)anilino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID BEqGVxoT7RE
InChI InChI=1S/C22H27NO7/c1-5-29-21(27)14-9-15(22(28)30-6-2)11-16(10-14)23-19(24)17-7-12(3)13(4)8-18(17)20(25)26/h9-11,17-18H,5-8H2,1-4H3,(H,23,24)(H,25,26)
InChIKey LZRQANCBNIXHPF-UHFFFAOYSA-N
Mol Weight 417.46 g/mol
Molecular Formula C22H27NO7
Exact Mass 417.178752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JKWeZweu6GA
Name 6-{[3,5-bis(ethoxycarbonyl)anilino]carbonyl}-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
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/C22H27NO7/c1-5-29-21(27)14-9-15(22(28)30-6-2)11-16(10-14)23-19(24)17-7-12(3)13(4)8-18(17)20(25)26/h9-11,17-18H,5-8H2,1-4H3,(H,23,24)(H,25,26)
InChIKey LZRQANCBNIXHPF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16081
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/1008240; Labnumber: NSB-0100744; UZI_ID: UZI-016085
Temperature 318 °C