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3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

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3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 2cKISGGqgWj
InChI InChI=1S/C23H25NO6S/c1-4-29-23(28)19-16(13-7-5-11(2)6-8-13)12(3)31-21(19)24-20(25)17-14-9-10-15(30-14)18(17)22(26)27/h5-8,14-15,17-18H,4,9-10H2,1-3H3,(H,24,25)(H,26,27)/t14-,15+,17+,18+/m0/s1
InChIKey UCJWPLQWDAAVMD-BURFUSLBSA-N
Mol Weight 443.51 g/mol
Molecular Formula C23H25NO6S
Exact Mass 443.140259 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3pDKIL4ODhn
Name 3-({[3-(ethoxycarbonyl)-5-methyl-4-(4-methylphenyl)-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/C23H25NO6S/c1-4-29-23(28)19-16(13-7-5-11(2)6-8-13)12(3)31-21(19)24-20(25)17-14-9-10-15(30-14)18(17)22(26)27/h5-8,14-15,17-18H,4,9-10H2,1-3H3,(H,24,25)(H,26,27)/t14-,15+,17+,18+/m0/s1
InChIKey UCJWPLQWDAAVMD-BURFUSLBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20481
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/9148499; Labnumber: U_AM_ACK/045850; UZI_ID: UZI-020489
Temperature 318 °C