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6-({[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID JoFcdg9pZiV
InChI InChI=1S/C25H29NO5S/c1-14-19(15-10-12-16(13-11-15)25(2,3)4)20(24(30)31-5)22(32-14)26-21(27)17-8-6-7-9-18(17)23(28)29/h6-7,10-13,17-18H,8-9H2,1-5H3,(H,26,27)(H,28,29)
InChIKey AKNZPLGRLJFZQL-UHFFFAOYSA-N
Mol Weight 455.57 g/mol
Molecular Formula C25H29NO5S
Exact Mass 455.176644 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IySvdxDZqt0
Name 6-({[4-(4-tert-butylphenyl)-3-(methoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)-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/C25H29NO5S/c1-14-19(15-10-12-16(13-11-15)25(2,3)4)20(24(30)31-5)22(32-14)26-21(27)17-8-6-7-9-18(17)23(28)29/h6-7,10-13,17-18H,8-9H2,1-5H3,(H,26,27)(H,28,29)
InChIKey AKNZPLGRLJFZQL-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20437
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/9162037; Labnumber: U_AM_ACK/044769; UZI_ID: UZI-020445
Temperature 308 °C