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3-({[4-(2,5-dimethylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 9dweqjSTD2x
InChI InChI=1S/C25H29NO5S/c1-12(2)31-25(30)21-18(17-9-13(3)5-6-14(17)4)11-32-23(21)26-22(27)19-15-7-8-16(10-15)20(19)24(28)29/h5-6,9,11-12,15-16,19-20H,7-8,10H2,1-4H3,(H,26,27)(H,28,29)/t15-,16+,19-,20-/m1/s1
InChIKey BHRQXPVROAHGDG-WOUAJJJCSA-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 DZp5zPeaRuw
Name 3-({[4-(2,5-dimethylphenyl)-3-(isopropoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[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/C25H29NO5S/c1-12(2)31-25(30)21-18(17-9-13(3)5-6-14(17)4)11-32-23(21)26-22(27)19-15-7-8-16(10-15)20(19)24(28)29/h5-6,9,11-12,15-16,19-20H,7-8,10H2,1-4H3,(H,26,27)(H,28,29)/t15-,16+,19-,20-/m1/s1
InChIKey BHRQXPVROAHGDG-WOUAJJJCSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_20186
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/9159333; UBI_ID: UBI-020190
Temperature 318 °C