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3-({[5-ethyl-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
SpectraBase Compound ID GgqUzbwhzH
InChI InChI=1S/C18H21NO5S/c1-3-11-8-12(18(23)24-2)16(25-11)19-15(20)13-9-4-6-10(7-5-9)14(13)17(21)22/h4,6,8-10,13-14H,3,5,7H2,1-2H3,(H,19,20)(H,21,22)/t9-,10+,13-,14-/m1/s1
InChIKey HAKQLDKCMJHDHN-RDBQEKCUSA-N
Mol Weight 363.43 g/mol
Molecular Formula C18H21NO5S
Exact Mass 363.114044 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BJbmZdM5JoZ
Name 3-({[5-ethyl-3-(methoxycarbonyl)-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-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/C18H21NO5S/c1-3-11-8-12(18(23)24-2)16(25-11)19-15(20)13-9-4-6-10(7-5-9)14(13)17(21)22/h4,6,8-10,13-14H,3,5,7H2,1-2H3,(H,19,20)(H,21,22)/t9-,10+,13-,14-/m1/s1
InChIKey HAKQLDKCMJHDHN-RDBQEKCUSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6184
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/1024672; Labnumber: COL1046; UZI_ID: UZI-006186
Temperature 318 °C