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2-({[3-(methoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)cyclohexanecarboxylic acid
SpectraBase Compound ID 29ZSd7yXK7R
InChI InChI=1S/C22H25NO5S/c1-12-8-10-14(11-9-12)17-13(2)29-20(18(17)22(27)28-3)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-11,15-16H,4-7H2,1-3H3,(H,23,24)(H,25,26)
InChIKey CYGFQQAUVZUPNV-UHFFFAOYSA-N
Mol Weight 415.5 g/mol
Molecular Formula C22H25NO5S
Exact Mass 415.145344 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KuBzbeOOpKD
Name 2-({[3-(methoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)cyclohexanecarboxylic 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/C22H25NO5S/c1-12-8-10-14(11-9-12)17-13(2)29-20(18(17)22(27)28-3)23-19(24)15-6-4-5-7-16(15)21(25)26/h8-11,15-16H,4-7H2,1-3H3,(H,23,24)(H,25,26)
InChIKey CYGFQQAUVZUPNV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20394
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/9142986; Labnumber: U_AM_ACK/043076; UZI_ID: UZI-020402
Temperature 318 °C