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3-({[4-(2,4-dimethylphenyl)-3-(ethoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 85qdzvYBx3y
InChI InChI=1S/C24H27NO5S/c1-4-30-24(29)20-17(16-8-5-12(2)9-13(16)3)11-31-22(20)25-21(26)18-14-6-7-15(10-14)19(18)23(27)28/h5,8-9,11,14-15,18-19H,4,6-7,10H2,1-3H3,(H,25,26)(H,27,28)/t14-,15+,18-,19-/m1/s1
InChIKey VWCIYGPHGXASEG-WTLGNFPFSA-N
Mol Weight 441.54 g/mol
Molecular Formula C24H27NO5S
Exact Mass 441.160994 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3N8YCBYjcwf
Name 3-({[4-(2,4-dimethylphenyl)-3-(ethoxycarbonyl)-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/C24H27NO5S/c1-4-30-24(29)20-17(16-8-5-12(2)9-13(16)3)11-31-22(20)25-21(26)18-14-6-7-15(10-14)19(18)23(27)28/h5,8-9,11,14-15,18-19H,4,6-7,10H2,1-3H3,(H,25,26)(H,27,28)/t14-,15+,18-,19-/m1/s1
InChIKey VWCIYGPHGXASEG-WTLGNFPFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20217
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/9149807; Labnumber: U_AM_ACK/031835; UZI_ID: UZI-020225
Temperature 318 °C