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object
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_id
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IDRdL8mclPa
spectrumID
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IDRdL8mclPa
cost
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1
specType
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262144
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dbLocation
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WRX:134524:1
hasStructureAssignments
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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compound
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1735074081058
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SpectraBase Compound ID 8ohTRNu5EsM
InChI InChI=1S/2C12H11Cl2NO3S/c2*1-18-12(17)8(5-15-6-2-3-6)10(16)7-4-9(13)19-11(7)14/h2*4-6,15H,2-3H2,1H3/b8-5+;8-5-
InChIKey NJKLLCIPKKOSEO-OJEMXQENSA-N
Mol Weight 640.38 g/mol
Molecular Formula C24H22Cl4N2O6S2
Exact Mass 637.96734 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IDRdL8mclPa
Name METHYL_3-N-CYClOPROPYLAMINO-2-(2,5-DICHLORO-3-THENOYL)-ACRYLATE;MIXTURE_OF_Z-_AND_E-ISOMER
Compound Number 5B
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H22Cl4N2O6S2
InChI InChI=1S/2C12H11Cl2NO3S/c2*1-18-12(17)8(5-15-6-2-3-6)10(16)7-4-9(13)19-11(7)14/h2*4-6,15H,2-3H2,1H3/b8-5+;8-5-
InChIKey NJKLLCIPKKOSEO-OJEMXQENSA-N
Literature Reference Author M.M.EL-ABADELAH,S.S.SABRI,H.A.AL-ASHQAR
Literature Reference Citation HETEROCYCLES,45,255(1997)
Literature Reference DOI 10.3987/COM-96-7613
Molecular Weight 640.380 g/mol
Solvent CDCl3
Source File Reference UWMZ2054
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