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

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3-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-2-thienyl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID EmUrHEqA96Y
InChI InChI=1S/C22H22FNO6S/c1-3-29-22(28)18-15(11-4-6-12(23)7-5-11)10(2)31-20(18)24-19(25)16-13-8-9-14(30-13)17(16)21(26)27/h4-7,13-14,16-17H,3,8-9H2,1-2H3,(H,24,25)(H,26,27)/t13-,14+,16+,17+/m0/s1
InChIKey URUDGDDQSSVEET-XOSAIJSUSA-N
Mol Weight 447.48 g/mol
Molecular Formula C22H22FNO6S
Exact Mass 447.115187 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dx5tGc4dKIh
Name 3-({[3-(ethoxycarbonyl)-4-(4-fluorophenyl)-5-methyl-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/C22H22FNO6S/c1-3-29-22(28)18-15(11-4-6-12(23)7-5-11)10(2)31-20(18)24-19(25)16-13-8-9-14(30-13)17(16)21(26)27/h4-7,13-14,16-17H,3,8-9H2,1-2H3,(H,24,25)(H,26,27)/t13-,14+,16+,17+/m0/s1
InChIKey URUDGDDQSSVEET-XOSAIJSUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_20521
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/9136825; Labnumber: U_AM_ACK/047852; UZI_ID: UZI-020529
Temperature 318 °C