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Tropaeolin O

View entire compound with spectra: 4 NMR, 6 FTIR, and 1 UV-Vis

Tropaeolin O
SpectraBase Compound ID 3wXzRjUwE3e
InChI InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);/q;+1/p-1/b14-13+;
InChIKey COEZWFYORILMOM-IERUDJENSA-M
Mol Weight 316.26276928 g/mol
Molecular Formula C12H9N2NaO5S
Exact Mass 316.012987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ht18S7HBuuw
Name COEZWFYORILMOM-IERUDJENSA-M
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H9N2NaO5S
InChI InChI=1S/C12H10N2O5S.Na/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19;/h1-7,15-16H,(H,17,18,19);/q;+1/p-1/b14-13+;
InChIKey COEZWFYORILMOM-IERUDJENSA-M
Literature Reference Author A.M.CHIPPENDALE,G.MCGEORGE,R.K.HARRIS,C.M.BRENNAN
Literature Reference Citation MAGN.RES.CHEM.,37,232(1999)
Literature Reference DOI 10.1002/(sici)1097-458x(199903)37:3<232::aid-mrc441>3.3.co;2-r
Molecular Weight 316.264 g/mol
Solvent DMSO-D6
Source File Reference UWCS23690