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CIS-2-(3-PHENYLTHIOUREIDO)-CYCLOPENTANECARBOXYLIC-ACID
SpectraBase Compound ID 44WP1Zay1bV
InChI InChI=1S/C13H16N2O2S/c16-12(17)10-7-4-8-11(10)15-13(18)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKey VZLKZELIZUHRKZ-MNOVXSKESA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HQZ5qXvfzPz
Name CIS-2-(3-PHENYLTHIOUREIDO)-CYCLOPENTANECARBOXYLIC-ACID
Compound Number CIS-4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c16-12(17)10-7-4-8-11(10)15-13(18)14-9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8H2,(H,16,17)(H2,14,15,18)/t10-,11+/m1/s1
InChIKey VZLKZELIZUHRKZ-MNOVXSKESA-N
Literature Reference Author E.ATAY,I.B.BLAGOEVA,F.L.CHUBB,J.T.EDWARD,I.G.POJARLIEFF,M.M. TOTEVA
Literature Reference Citation CAN.J.CHEM.,78,84(2000)
Literature Reference DOI 10.1139/cjc-78-1-84
Molecular Weight 264.342 g/mol
Solvent DMSO-D6
Source File Reference UWSI553