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3-thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, ethyl ester

View entire compound with spectra: 1 NMR

3-thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, ethyl ester
SpectraBase Compound ID LfcWQFFzep6
InChI InChI=1S/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-20-7-5-6-19(28)14(20)2)35-24(21)30-26(33)27-11-16-8-17(12-27)10-18(9-16)13-27/h5-7,16-18H,4,8-13H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,18-,27-
InChIKey MYCUDSDGJJQRHS-HYVKCOOLSA-N
Mol Weight 515.07 g/mol
Molecular Formula C27H31ClN2O4S
Exact Mass 514.169306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2d2mqCkXuYj
Name 3-thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, 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/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-20-7-5-6-19(28)14(20)2)35-24(21)30-26(33)27-11-16-8-17(12-27)10-18(9-16)13-27/h5-7,16-18H,4,8-13H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,18-,27-
InChIKey MYCUDSDGJJQRHS-HYVKCOOLSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_549
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/11258489