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(1RS,2RS)-TRANS-2-[(2,4-DINITROPHENYL)-THIO]-CYCLOPENT-3-ENE-1-ACETIC-ACID
SpectraBase Compound ID FZkE3QoxMbc
InChI InChI=1S/C13H12N2O6S/c16-13(17)6-8-2-1-3-11(8)22-12-5-4-9(14(18)19)7-10(12)15(20)21/h1,3-5,7-8,11H,2,6H2,(H,16,17)/t8-,11+/m1/s1
InChIKey FBWQGZQXVLPAPK-KCJUWKMLSA-N
Mol Weight 324.31 g/mol
Molecular Formula C13H12N2O6S
Exact Mass 324.041607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C6EkQJ1KhyQ
Name (1RS,2RS)-TRANS-2-[(2,4-DINITROPHENYL)-THIO]-CYCLOPENT-3-ENE-1-ACETIC-ACID
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H12N2O6S
InChI InChI=1S/C13H12N2O6S/c16-13(17)6-8-2-1-3-11(8)22-12-5-4-9(14(18)19)7-10(12)15(20)21/h1,3-5,7-8,11H,2,6H2,(H,16,17)/t8-,11+/m1/s1
InChIKey FBWQGZQXVLPAPK-KCJUWKMLSA-N
Literature Reference Author P.A.CARRUPT,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,72,1008(1989)
Literature Reference DOI 10.1002/hlca.19890720519
Molecular Weight 324.308 g/mol
Solvent CDCl3
Source File Reference UWED11731