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3-({[4-(4-cyclohexylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

View entire compound with spectra: 1 NMR

3-({[4-(4-cyclohexylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 27MiASKxQlt
InChI InChI=1S/C28H33NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)(H,31,32)/t20-,21+,23+,24+/m0/s1
InChIKey FHAUWIJVDDKEAI-XWVZOOPGSA-N
Mol Weight 511.6 g/mol
Molecular Formula C28H33NO6S
Exact Mass 511.202859 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 85qEWA5wJ9B
Name 3-({[4-(4-cyclohexylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-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/C28H33NO6S/c1-15(2)34-28(33)22-19(18-10-8-17(9-11-18)16-6-4-3-5-7-16)14-36-26(22)29-25(30)23-20-12-13-21(35-20)24(23)27(31)32/h8-11,14-16,20-21,23-24H,3-7,12-13H2,1-2H3,(H,29,30)(H,31,32)/t20-,21+,23+,24+/m0/s1
InChIKey FHAUWIJVDDKEAI-XWVZOOPGSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19039
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/9134268; UBI_ID: UBI-019042
Temperature 318 °C