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S-(PHENOXATHIIN-2-CARBONYLMETHYL)-TETRAHYDROTHIOPHENIUM_BROMIDE
SpectraBase Compound ID DUxe96wocvw
InChI InChI=1S/C18H17O2S2.BrH/c19-14(12-22-9-3-4-10-22)13-7-8-16-18(11-13)21-17-6-2-1-5-15(17)20-16;/h1-2,5-8,11H,3-4,9-10,12H2;1H/q+1;/p-1
InChIKey UZJSAEPUBBZHHS-UHFFFAOYSA-M
Mol Weight 409.36 g/mol
Molecular Formula C18H17BrO2S2
Exact Mass 407.985335 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BjsLMVT2Qqo
Name S-(PHENOXATHIIN-2-CARBONYLMETHYL)-TETRAHYDROTHIOPHENIUM_BROMIDE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17BrO2S2
InChI InChI=1S/C18H17O2S2.BrH/c19-14(12-22-9-3-4-10-22)13-7-8-16-18(11-13)21-17-6-2-1-5-15(17)20-16;/h1-2,5-8,11H,3-4,9-10,12H2;1H/q+1;/p-1
InChIKey UZJSAEPUBBZHHS-UHFFFAOYSA-M
Literature Reference Author D.GAVRILIU,T.LOLOIU,A.NICOLAE,G.LOLOIU,O.MAIOR
Literature Reference Citation CHEM.HET.COMP.,38,242(2002)
Literature Reference DOI 10.1023/a:1015307813291
Molecular Weight 409.356 g/mol
Solvent DMSO-D6
Source File Reference UWMZ10798