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2-(3-PHENYLTHIOUREIDO)-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER
SpectraBase Compound ID 7EqNgCBQAbH
InChI InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
InChIKey LLGKQAVFOOLYNJ-UHFFFAOYSA-N
Mol Weight 360.49 g/mol
Molecular Formula C18H20N2O2S2
Exact Mass 360.09662 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EdSaKmIJTI
Name 2-(3-PHENYLTHIOUREIDO)-4,5,6,7-TETRAHYDROBENZO-[B]-THIOPHENE-3-CARBOXYLIC-ACID-ETHYLESTER
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H20N2O2S2
InChI InChI=1S/C18H20N2O2S2/c1-2-22-17(21)15-13-10-6-7-11-14(13)24-16(15)20-18(23)19-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H2,19,20,23)
InChIKey LLGKQAVFOOLYNJ-UHFFFAOYSA-N
Literature Reference Author K.M.AL-TAISAN,H.M.A.AL-HAZIMI,S.S.AL-SHIHRY
Literature Reference Citation MOLECULES,15,3932(2010)
Literature Reference DOI 10.3390/molecules15063932
Molecular Weight 360.489 g/mol
Sample ID 70965
Solvent CDCl3