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6-({[4-(4-butylphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)-3,4-dimethyl-3-cyclohexene-1-carboxylic acid
SpectraBase Compound ID 2ppDDnsq1dO
InChI InChI=1S/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)
InChIKey OPVPUNRPNYVSGT-UHFFFAOYSA-N
Mol Weight 483.6 g/mol
Molecular Formula C27H33NO5S
Exact Mass 483.207944 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J55YQZD5nNF
Name 6-({[4-(4-butylphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}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/C27H33NO5S/c1-5-7-8-18-9-11-19(12-10-18)22-15-34-25(23(22)27(32)33-6-2)28-24(29)20-13-16(3)17(4)14-21(20)26(30)31/h9-12,15,20-21H,5-8,13-14H2,1-4H3,(H,28,29)(H,30,31)
InChIKey OPVPUNRPNYVSGT-UHFFFAOYSA-N
NMR Offset 17.1563
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_15535
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/9686624; Labnumber: NSB-0098906; UZI_ID: UZI-015539
Temperature 308 °C