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3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-4-[3-(PARA-TOSYLOXY)-PROPYLTHIOL]-1,2,3,4-TETRAHYDROQUINOLINE
SpectraBase Compound ID 90L2kX9KiNj
InChI InChI=1S/C28H31NO5S2/c1-19-9-13-22(14-10-19)28(31)29-21(3)26(30)27(24-7-4-5-8-25(24)29)35-18-6-17-34-36(32,33)23-15-11-20(2)12-16-23/h4-5,7-16,21,26-27,30H,6,17-18H2,1-3H3/t21-,26-,27-/m0/s1
InChIKey UHQBYRRMERJAFU-PUUVEUEGSA-N
Mol Weight 525.68 g/mol
Molecular Formula C28H31NO5S2
Exact Mass 525.164365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1Hd4z8bTOY9
Name 3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-4-[3-(PARA-TOSYLOXY)-PROPYLTHIOL]-1,2,3,4-TETRAHYDROQUINOLINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H31NO5S2
InChI InChI=1S/C28H31NO5S2/c1-19-9-13-22(14-10-19)28(31)29-21(3)26(30)27(24-7-4-5-8-25(24)29)35-18-6-17-34-36(32,33)23-15-11-20(2)12-16-23/h4-5,7-16,21,26-27,30H,6,17-18H2,1-3H3/t21-,26-,27-/m0/s1
InChIKey UHQBYRRMERJAFU-PUUVEUEGSA-N
Literature Reference Author R.HIESSBOECK,M.KRATZEL
Literature Reference Citation J.HETCYCL.CHEM.,36,1295(1999)
Literature Reference DOI 10.1002/jhet.5570360530
Molecular Weight 525.678 g/mol
Solvent CDCl3
Source File Reference UWMZ22229