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3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-4-[2-(PARA-TOSYLOXY)-ETHOXY]-1,2,3,4-TETRAHYDROQUINOLINE
SpectraBase Compound ID AJPAmn3v46X
InChI InChI=1S/C27H29NO6S/c1-18-8-12-21(13-9-18)27(30)28-20(3)25(29)26(23-6-4-5-7-24(23)28)33-16-17-34-35(31,32)22-14-10-19(2)11-15-22/h4-15,20,25-26,29H,16-17H2,1-3H3/t20-,25-,26-/m0/s1
InChIKey CWNTWVLPOJLWJE-XZZVZQAVSA-N
Mol Weight 495.59 g/mol
Molecular Formula C27H29NO6S
Exact Mass 495.171559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWOomtrNkTy
Name 3-HYDROXY-2-METHYL-1-PARA-TOLUOYL-4-[2-(PARA-TOSYLOXY)-ETHOXY]-1,2,3,4-TETRAHYDROQUINOLINE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H29NO6S
InChI InChI=1S/C27H29NO6S/c1-18-8-12-21(13-9-18)27(30)28-20(3)25(29)26(23-6-4-5-7-24(23)28)33-16-17-34-35(31,32)22-14-10-19(2)11-15-22/h4-15,20,25-26,29H,16-17H2,1-3H3/t20-,25-,26-/m0/s1
InChIKey CWNTWVLPOJLWJE-XZZVZQAVSA-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 495.590 g/mol
Solvent CDCl3
Source File Reference UWMZ22219