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3-({[3-(ethoxycarbonyl)-5-methyl-2-thienyl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
SpectraBase Compound ID IGD9P4sYA5z
InChI InChI=1S/C18H21NO5S/c1-3-24-18(23)12-8-9(2)25-16(12)19-15(20)13-10-4-6-11(7-5-10)14(13)17(21)22/h4,6,8,10-11,13-14H,3,5,7H2,1-2H3,(H,19,20)(H,21,22)/t10-,11+,13-,14-/m1/s1
InChIKey ROMMXGFGJTUBFT-ZMJPVWNMSA-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 7zOwC2V44AM
Name 3-({[3-(ethoxycarbonyl)-5-methyl-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/c1-3-24-18(23)12-8-9(2)25-16(12)19-15(20)13-10-4-6-11(7-5-10)14(13)17(21)22/h4,6,8,10-11,13-14H,3,5,7H2,1-2H3,(H,19,20)(H,21,22)/t10-,11+,13-,14-/m1/s1
InChIKey ROMMXGFGJTUBFT-ZMJPVWNMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6183
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/1025099; Labnumber: COL1045; UZI_ID: UZI-006185
Temperature 318 °C